Results for:
chemical Classification: benzotriazoles

2H-benzotriazole

Mass-Spectra

Compound Details

Synonymous names
Pseudoazimidobenzene
Azimidobenzene
Aziminobenzene
Benzisotriazole
benzotriazol
Benzotriazole
Benztriazole
indazolamine
azaindazole
QRUDEWIWKLJBPS-UHFFFAOYSA-N
Benzene azimide
Benzotriazole, analytical standard
BtaH
1H-Benzotriazole
2H-Benzotriazole
1H-Benzotriazol
Cobratec#99
0CT
3uzj
AC1Q4XBF
1 h-benzotriazole
1,2-Aminoazophenylene
1,2-Aminozophenylene
AC1L1O9Y
Benzotriazole (VAN)
Cobratec #99
Cobratec 35G
Cobratec 99
SCHEMBL8956
1,3-Benzotriazole
1,3-Triazaindene
CCRIS 78
KSC486M6D
1H-Benzotriazole (VAN8C
2,3-Diazaindole
ACMC-209ruz
CHEMBL84963
NSC3058
PubChem16004
1,2,-Aminozophenylene
B0094
BDBM36293
cobr atec #99
CTK1A4424
CTK3I6661
RP09726
RP19335
STR01561
86110UXM5Y
DSSTox_CID_147
HMS3091M10
HSDB 4143
ZINC332008
1H-1,3-Benzotriazole
BC227994
Benzotriazole, reagent grade, 97%
Cobratec No. 99
CS-D1407
DTXSID6020147
HE027222
HE073936
HE241860
HE330746
LS-1972
NSC-3058
PS-3644
SBB060070
STL281967
ZB010624
1,2,3-Benzotriazol
1,2,3-BENZOTRIAZOLE
1,2,3-Benztriazole
1,2,3-Triazaindene
CHEBI:75331
NCI-C03521
U-6233
UNII-86110UXM5Y
WLN: T56 BMNNJ
Z-2915
AB0008382
AJ-19511
AK-44446
AN-24306
ANW-40377
BP-21454
DSSTox_GSID_20147
KB-47717
SC-15698
ST2415491
TRA0094454
DSSTox_RID_75400
MFCD00005699
ZINC00332008
AI3-15984
Benzotriazole, ReagentPlus(R), 99%
DB-022595
RTR-029656
ST51046317
TR-029656
1,3-Triaza-1H-indene
AKOS000119181
AKOS025396849
S14-0924
W-100172
Z57127352
1,2,3-1h-benzotriazole
1H-1,2,3-Benzotriazole
BB 0243857
BRN 0112133
FT-0606217
FT-0698151
MLS002302971
SMR001252218
1,2,3-Benzotriazole(BTA)
95-14-7
Tox21_201501
Tox21_302934
273-02-9
Benzotriazole, Vetec(TM) reagent grade, 98%
F2190-0645
CAS-95-14-7
1,2,3-Triaza-1H-indene
1H-Benzotriazole, 99% 50g
MCULE-2848618742
NCGC00091322-01
NCGC00091322-02
NCGC00256574-01
NCGC00259052-01
AB00374479-06
EINECS 202-394-1
25377-81-5
27556-51-0
28880-01-5
70644-74-5
83202-91-9
94160-69-7
115773-98-3
116421-31-9
152206-50-3
197463-08-4
1H-Benzotriazole, >=98.0% (N)
3334-EP2270010A1
3334-EP2270113A1
3334-EP2272828A1
3334-EP2272935A1
3334-EP2280000A1
3334-EP2281563A1
3334-EP2281818A1
3334-EP2284920A1
3334-EP2289883A1
3334-EP2292586A2
3334-EP2292593A2
3334-EP2292597A1
3334-EP2292611A1
3334-EP2298753A1
3334-EP2301918A1
3334-EP2301921A1
3334-EP2301924A1
3334-EP2301926A1
3334-EP2305651A1
3334-EP2308562A2
3334-EP2308839A1
3334-EP2308840A1
3334-EP2308849A1
3334-EP2308850A1
3334-EP2308854A1
3334-EP2314575A1
3334-EP2315502A1
3334-EP2316459A1
3334-EP2371811A2
3334-EP2372804A1
3334-EP2377847A1
3334-EP2378585A1
MolPort-000-151-332
1334724-96-7
1H-Benzo[d][1,2,3]triazole
22608-EP2315502A1
2H-benzo[d][1,2,3]triazole
81449-EP2275411A2
81449-EP2305687A1
AC-907/34124039
4-26-00-00093 (Beilstein Handbook Reference)
InChI=1/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9
IUPAC name2H-benzotriazole
SMILESC1=CC2=NNN=C2C=C1
InchiInChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)
FormulaC6H5N3
PubChem ID7220
Molweight119.127
LogP1.26
Atoms14
Bonds15
H-bond Acceptor2
H-bond Donor1
Chemical Classificationbenzotriazoles triazoles benzenoids nitrogen containing compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for 1,2,3- benzotriazole is estimated as 3.2X10-7 atm-cu m/mole(SRC) derived from its vapor pressure, 0.04 mm Hg(1), and water solubility, 19,800 mg/l(1). This Henry's Law constant indicates that 1,2,3-benzotriazole is expected to be essentially nonvolatile from water surfaces(2). 1,2,3-Benzotriazole is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1). The pKa of benzotriazole is 8.37(3), indicating that this compound will exist in the cation form in the environment. Volatilization from dry or moist soil surfaces is not expected to be an important fate process because the cation is not expected to volatilize.
Literature: (1) Davis LN et al; Investigation of selected potential environmental contaminants: benzotriazoles. Washington, DC: USEPA-560/ 2-77-001 (1977) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Serjeant EP Dempsey B; Ionisation constants of organic acids in aqueous solution; IUPAC Chemical Data Series, no 23. NY, NY; Pergamon Press p. 159 (1979)
Soil Adsorption
The Koc of 1,2,3-benzotriazole is estimated as 145(SRC), using a log Kow of 1.44(1) and a regression-derived equation(2). According to a classification scheme(3), these estimated Koc values suggests that 1,2,3- benzotriazole is expected to have high mobility in soil. However, mobility of 1,2,3-benzotriazole will be affected by pH(2): the pKa of benzotriazole is 8.37(4), indicating that this compound will exist in the cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 18 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Serjeant EP Dempsey B; Ionisation constants of organic acids in aqueous solution; IUPAC Chemical Data Series, no 23. NY, NY; Pergamon Press p. 159 (1979)
Vapor Pressure
PressureReference
4.0X01-2 mm Hg @ 20 deg CDavis LN et al; Investigation of selected potential environmental contaminants: benzotriazoles. USEPA-560/2-77-001. Washington, DC: US EPA (1977)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillaceaeRhizosphereBlom et al., 2011
BacteriaBacillus Spp.n/aBlom et al., 2011
BacteriaBurkholderia Andropogonis LMG 2129n/aBlom et al., 2011
BacteriaBurkholderia Anthina LMG 20980n/aBlom et al., 2011
BacteriaBurkholderia Caryophylli LMG 2155n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222n/aBlom et al., 2011
BacteriaBurkholderia Cepacia LMG 1222 358RhizosphereBlom et al., 2011
BacteriaBurkholderia Fungorum LMG 16225n/aBlom et al., 2011
BacteriaBurkholderia Glumae LMG 2196n/aBlom et al., 2011
BacteriaBurkholderia Hospita LMG 20598n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 22485n/aBlom et al., 2011
BacteriaBurkholderia Lata LMG 6993n/aBlom et al., 2011
BacteriaBurkholderia Phenazinium LMG 2247n/aBlom et al., 2011
BacteriaBurkholderia Phenoliruptrix LMG 22037n/aBlom et al., 2011
BacteriaBurkholderia Phytofirmans LMG 22487n/aBlom et al., 2011
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Sacchari LMG 19450n/aBlom et al., 2011
BacteriaBurkholderia Terricola LMG 20594n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaBurkholderia Xenovorans LMG 21463n/aBlom et al., 2011
BacteriaChromobacterium Violaceum CV0n/aBlom et al., 2011
BacteriaPseudomonas Aeruginosa PUPa3n/aBlom et al., 2011
BacteriaPseudomonas Fluorescens WCS 417rn/aBlom et al., 2011
BacteriaPseudomonas Putida ISOfn/aBlom et al., 2011
BacteriaSerratia Marcescens MG1n/aBlom et al., 2011
BacteriaSerratia Plymuthica HRO-C48n/aBlom et al., 2011
BacteriaSerratia Plymuthica IC14n/aBlom et al., 2011
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaStenotrophomonas Rhizophilla Ep10-p69n/aBlom et al., 2011
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillaceaeLB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaBacillus Spp.LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Andropogonis LMG 2129LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Anthina LMG 20980MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Caryophylli LMG 2155MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Cepacia LMG 1222 358LB and MR-VPHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)Yes
BacteriaBurkholderia Fungorum LMG 16225LB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Glumae LMG 2196LB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Hospita LMG 20598MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 22485LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Lata LMG 6993MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenazinium LMG 2247LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phenoliruptrix LMG 22037LB and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Phytofirmans LMG 22487LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Pyrrocinia LMG 21822MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Sacchari LMG 19450LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Terricola LMG 20594LB and MSHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219LB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Xenovorans LMG 21463LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaChromobacterium Violaceum CV0LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Aeruginosa PUPa3MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Fluorescens WCS 417rLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaPseudomonas Putida ISOfMR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Marcescens MG1LB, MR-VP and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica HRO-C48LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Plymuthica IC14LB and MR-VP Headspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans B5aLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaStenotrophomonas Rhizophilla Ep10-p69LBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)