Results for:
chemical Classification: bromides

4-bromo-2-chloroaniline

Compound Details

Synonymous names

4-Bromo-2-chloroaniline

38762-41-3

2-Chloro-4-bromoaniline

Benzenamine, 4-bromo-2-chloro-

4-Bromo-2-chloro-phenylamine

4-bromo-2-chlorophenylamine

MFCD00007660

4-bromo-2-chloro-aniline

4-Bromo-2-chlorobenzenamine

2-chloro4-bromoaniline

4-Brom-2-chlor-anilin

4-bromo-2-chlorophenylarnine

Aniline, 4-bromo-2-chloro-

SCHEMBL160438

4-Bromo-2-chloroaniline, 98%

DTXSID401027990

STR08116

BBL035749

STL087632

AKOS000114241

AC-4438

CS-W020030

MCULE-5433730477

PS-3215

SB78172

A6540

AM20061090

B1993

NS00060424

EN300-20801

W-109024

F0001-1100

Z104482600

InChI=1/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H

Microorganism:

Yes

IUPAC name

4-bromo-2-chloroaniline

SMILES

C1=CC(=C(C=C1Br)Cl)N

Inchi

InChI=1S/C6H5BrClN/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Formula

C₆H₅BrClN

PubChem ID

610169

Molweight

206.47

LogP

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

amines bromides benzenoids halogenated compounds aromatic compounds chlorides nitrogen compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

1-(4-bromobutyl)piperidin-2-one

Compound Details

Synonymous names

1-(4-Bromobutyl)-2-piperidinone

1-(4-bromobutyl)piperidin-2-one

2-Piperidinone, N-[4-bromo-n-butyl]-

SCHEMBL7625589

1-(4-bromobutyl)-2-piperidone

CHEBI:88062

1-(4-Bromobutyl)-2-piperidinone #

N-[4-bromo-n-butyl]-2-piperidinone

Q27160031

195194-80-0

Microorganism:

Yes

IUPAC name

1-(4-bromobutyl)piperidin-2-one

SMILES

C1CCN(C(=O)C1)CCCCBr

Inchi

InChI=1S/C9H16BrNO/c10-6-2-4-8-11-7-3-1-5-9(11)12/h1-8H2

Formula

C₉H₁₆BrNO

PubChem ID

536377

Molweight

234.13

LogP

1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

lactames amides bromides heterocyclic compounds halogenated compounds nitrogen compounds

CHEBI-ID

88062

Supernatural-ID

SN0261254

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Thermocarboxydus	NA	NA	Passari et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Thermocarboxydus	actinomycetes isolation agar (AIA)	GC-MS	no

7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

Compound Details

Synonymous names

Halofuginone

(+)-Halofuginone

Halocur

Halofuginone, (+)-

55837-20-2

6-Chloro-7-bromo-(+)-febrifugine

Halofuginon

Halofuginonum

H84E4Y7HC9

L31MM1385E

(+/-)-trans-7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)-acetonyl)-4(3H)-quinazolinone

Halofuginone [INN:BAN]

7-Bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone

868851-54-1

Halofunginone

7-Bromo-6-Chloro-3-{3-[(2r,3s)-3-Hydroxypiperidin-2-Yl]-2-Oxopropyl}quinazolin-4(3h)-One

4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-

rel-7-Bromo-6-chloro-3-(3-((2R,3S)-3-hydroxypiperidin-2-yl)-2-oxopropyl)quinazolin-4(3H)-one

NSC713205

HALOFUGINONE [INN]

Halofuginonum [INN-Latin]

Halofuginona [INN-Spanish]

UNII-L31MM1385E

HalocurTM

HT-100

7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxo-propyl]quinazolin-4-one

HFG

HALOFUGINONE [MI]

UNII-H84E4Y7HC9

SCHEMBL9541147

CHEMBL1199540

7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxopropyl]-4(3H)-Quinazolinone

DTXSID301339439

s8144

AKOS022185424

CCG-268823

DB04866

(+-)-trans-7-Brom-6-chlor-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-chinazolinon

(+-)-trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidyl)acetonyl-4(3H)-quinazolinone

7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

trans-7-Bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-4(3H)-quinazolinone

4(3H4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-(+/-)-

HALOFUGINONE [EMA EPAR VETERINARY]

rel-7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-4(3H)-quinazolinone

NS00017223

Q4132745

(+/-)-trans-7-Bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-4(3H)-quinazolinone hydrobromide

4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-((2R,3S)-3-hydroxy-2-piperidinyl)-2-oxopropyl)-, rel-

4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-

4(3H)-Quinazolinone, 7-bromo-6-chloro-3-(3-(3-hydroxy-2-piperidinyl)-2-oxopropyl)-, trans-(+-)-

4(3H)-QUINAZOLINONE, 7-BROMO-6-CHLORO-3-(3-(3-HYDROXY-2-PIPERIDINYL)-2-OXOPROPYL)-, TRANS-(+/-)-

7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}-3,4-dihydroquinazolin-4-one

Microorganism:

Yes

IUPAC name

7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

SMILES

C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O

Inchi

InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m1/s1

Formula

C₁₆H₁₇BrClN₃O₃

PubChem ID

456390

Molweight

414.7

LogP

1.4

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

amines quinazolines alcohols aromatic compounds halogenated compounds benzenoids bromides chlorides heterocyclic compounds ketones nitrogen compounds

Supernatural-ID

SN0216206-01

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Burkholderia Arboris	NA	NA	Zhu et al. 2022

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Burkholderia Arboris	nutrient agar (NA) medium	UPLC-QTOF/MS	no

11-bromoundecan-1-ol

Compound Details

Synonymous names

11-Bromo-1-undecanol

1611-56-9

11-Bromoundecan-1-ol

11-Bromoundecanol

1-Undecanol, 11-bromo-

1-Bromo-11-hydroxyundecane

11-Bromoundecyl Alcohol

MFCD00004752

11-Bromo-1-hydroxyundecane

NSC-4029

Undecamethylene bromohydrin

C11H23BrO

NSC4029

EINECS 216-554-3

11-bromo-l-undecanol

1-Bromo-11-undecanol

11-bromoundecane-1-ol

omega-Bromoundecyl alcohol

11-Bromoundecanyl alcohol

P686BA4MWG

11-?Bromo-?1-?undecanol

SCHEMBL290960

11-Bromo-1-undecanol, 98%

DTXSID00167061

NSC 4029

AKOS015836181

AM84536

CS-W014623

MCULE-5881088914

AS-15413

SY011480

B1477

NS00025257

A51044

EN300-179511

11-Bromo-1-undecanol, purum, >=99.0% (AT)

A810234

J-504143

Microorganism:

Yes

IUPAC name

11-bromoundecan-1-ol

SMILES

C(CCCCCO)CCCCCBr

Inchi

InChI=1S/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2

Formula

C₁₁H₂₃BrO

PubChem ID

74163

Molweight

251.2

LogP

5.2

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols bromides halogenated compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

12-bromododecan-1-ol

Compound Details

Synonymous names

12-Bromo-1-dodecanol

12-bromododecan-1-ol

3344-77-2

12-bromododecanol

BROMO-DODECANOL

12-Bromo-dodecan-1-ol

1-Dodecanol, 12-bromo-

L7CYF0086V

DTXSID1049273

MFCD00004754

BDD

UNII-L7CYF0086V

1n8u

1n8v

C12H25BrO

12-hydroxy-1-bromododecane

SCHEMBL531310

12-Bromo-1-dodecanol, 99%

CHEMBL1231267

DTXCID6029129

AMY6316

Tox21_202822

BBL100381

STL554175

AKOS015836180

DB02619

MCULE-1748500310

NCGC00260368-01

AS-10236

PD007816

SY019468

CAS-3344-77-2

12-bromododecan-1-ol;12-Bromo-1-dodecanol

B1731

CS-0158375

NS00068952

EN300-87131

A12981

J-019189

Q27093585

Z1259040916

Microorganism:

Yes

IUPAC name

12-bromododecan-1-ol

SMILES

C(CCCCCCBr)CCCCCO

Inchi

InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2

Formula

C₁₂H₂₅BrO

PubChem ID

137895

Molweight

265.23

LogP

5.5

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

alcohols bromides halogenated compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

2-bromoethyl Benzoate

Compound Details

Synonymous names

2-Bromoethyl benzoate

939-54-8

2-bromoethylbenzoate

Benzoic acid 2-bromoethyl ester

MFCD00059462

Bromoethyl Benzoate

beta-Bromoethyl benzoate

72PB6FLV4E

2-Bromoethyl benzoate, 98%

SCHEMBL561869

Ethanol, 2-bromo-, 1-benzoate

KNBBDZULQFKSIE-UHFFFAOYSA-

2-Bromoethyl Benzoate (~90%)

DTXSID30335150

AKOS005203196

BS-22296

SY052379

B0065

CS-0156543

InChI=1/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

Microorganism:

Yes

IUPAC name

2-bromoethyl benzoate

SMILES

C1=CC=C(C=C1)C(=O)OCCBr

Inchi

InChI=1S/C9H9BrO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

Formula

C₉H₉BrO₂

PubChem ID

523090

Molweight

229.07

LogP

2.6

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

esters benzenoids bromides aromatic compounds halogenated compounds

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

3-phenylpropanoyl Bromide

Compound Details

Synonymous names

3-Phenylpropanoyl bromide

1-Bromo-3-phenyl-1-propanone

10500-29-5

Hydrocinnamoyl bromide

Benzenepropanoyl bromide

3-Phenylpropionyl bromide

3-Phenylpropanoyl bromide #

SCHEMBL9717300

KNNKTMOYEUWZNP-UHFFFAOYSA-N

Microorganism:

Yes

IUPAC name

3-phenylpropanoyl bromide

SMILES

C1=CC=C(C=C1)CCC(=O)Br

Inchi

InChI=1S/C9H9BrO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Formula

C₉H₉BrO

PubChem ID

561997

Molweight

213.07

LogP

2.9

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

benzenoids aromatic compounds halogenated compounds bromides

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Thermocarboxydus	NA	NA	Passari et al. 2019

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Thermocarboxydus	actinomycetes isolation agar (AIA)	GC-MS	no

1-bromo-2-methylpropane

Mass-Spectra

Compound Details

Synonymous names

1-Bromo-2-methylpropane

78-77-3

ISOBUTYL BROMIDE

iso-Butyl bromide

Propane, 1-bromo-2-methyl-

1-Bromo-2-methyl-propane

i-Butyl bromide

Bromoacetaldehydedimethylacetal

5OEC0BW987

DTXSID1052539

NSC-8416

MFCD00000217

Bromoisobutane

CCRIS 349

2-methylpropyl bromide

NSC 8416

EINECS 201-141-2

isobutylbromid

isobutylbromide

UNII-5OEC0BW987

i-butylbromide

iso-butylbromide

isobutyl-bromide

AI3-18130

i-BuBr

2-methylbromopropane

2-methylpropylbromide

iso-C4H9Br

2-methyl bromopropane

1-bromo-2methylpropane

1-bromo-2-methylpropan

l-bromo-2-methylpropane

3-bromo-2-methylpropane

1 -bromo-2-methylpropane

1-bromo 2-methyl propane

1-bromo-2-methyl propane

EC 201-141-2

SCHEMBL7399

ISOBUTYL BROMIDE [MI]

2-Bromo-1,1-Dimethyl Ethane

CHEMBL346532

DTXCID2031112

1-Bromo-2-methylpropane, 99%

WLN: E1Y1&1

NSC8416

AMY25783

BCP21482

Tox21_303878

BBL036259

STL264117

AKOS000118762

MCULE-6039420480

PB48146

UN 2342

CAS-78-77-3

NCGC00357138-01

VS-13394

A9430

B0616

NS00006245

EN300-19287

P19652

J-504405

Q15632844

F1908-0100

InChI=1/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H

Microorganism:

Yes

IUPAC name

1-bromo-2-methylpropane

SMILES

CC(C)CBr

Inchi

InChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3

Formula

C₄H₉Br

PubChem ID

6555

Molweight

137.02

LogP

2.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

halogenated compounds bromides

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP004829

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Prokaryota	Streptomyces Sp.		NA	Jones et al. 2017

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Prokaryota	Streptomyces Sp.	YPD agar	GCxGC-TOFMS	no

2-bromooctane

Compound Details

Synonymous names

2-Bromooctane

557-35-7

Octane, 2-bromo-

sec-Octyl bromide

2-Octyl bromide

1-Methylheptyl bromide

2-Bromoooctane

K51199TJ7S

NSC-8060

MFCD00040823

2-bromo OCTANE

sec-Octyl bromide (VAN)

UNII-K51199TJ7S

2-bromo-octane

1-bromoethylhexane

NSC 8060

EINECS 209-171-8

(+/-)-sec-octyl bromide

60251-57-2

SCHEMBL598655

SEC-OCTYL BROMIDE [MI]

(+/-)-2-BROMOOCTANE

DTXSID90880631

NSC8060

STL453679

Octane, 2-bromo-, (.+/-.)-

AKOS009156594

SEC-OCTYL BROMIDE, (+/-)-

MCULE-1528804584

2-Bromooctane (contains 3-Bromooctane)

AS-13085

SY053213

B1347

CS-0182749

NS00043679

F21283

A830778

J-508531

Q27281969

InChI=1/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H

Microorganism:

Yes

IUPAC name

2-bromooctane

SMILES

CCCCCCC(C)Br

Inchi

InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

Formula

C₈H₁₇Br

PubChem ID

79046

Molweight

193.12

LogP

4.3

Atoms

Bonds

H-bond Acceptor

H-bond Donor

Chemical Classification

halogenated compounds bromides

mVOC Specific Details

Species emitting the compound

Kingdom	Species	Biological Function	Origin/Habitat	Reference
Eukaryota	Saccharomyces Cerevisiae	NA	NA	Harris et al. 2021

Method

Kingdom	Species	Growth Medium	Applied Method	Verification
Eukaryota	Saccharomyces Cerevisiae	malt extract broth	HS-SPME with GC-MS	no

Results for: chemical Classification: bromides

4-bromo-2-chloroaniline

Compound Details

mVOC Specific Details

1-(4-bromobutyl)piperidin-2-one

Compound Details

mVOC Specific Details

7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one

Compound Details

mVOC Specific Details

11-bromoundecan-1-ol

Compound Details

mVOC Specific Details

12-bromododecan-1-ol

Compound Details

mVOC Specific Details

2-bromoethyl Benzoate

Compound Details

mVOC Specific Details

3-phenylpropanoyl Bromide

Compound Details

mVOC Specific Details

1-bromo-2-methylpropane

Compound Details

mVOC Specific Details

2-bromooctane

Compound Details

mVOC Specific Details

Results for:
chemical Classification: bromides