Results for:
PubChem ID: 8005

1-chlorobutane

Compound Details

Synonymous names
1-Chlorobutane
109-69-3
Butyl chloride
N-BUTYL CHLORIDE
Butane, 1-chloro-
Chlorure de butyle
NBC wormer
N-Propylcarbinyl chloride
Sure Shot
chlorobutane
n-Chlorobutane
NCI-C06155
NSC 8419
CCRIS 1389
1-CHLORO-BUTANE
HSDB 4167
UNII-ZP7R667SGD
EINECS 203-696-6
ZP7R667SGD
BRN 1730909
BUTYLCHORIDE
DTXSID8020206
AI3-15309
NSC-8419
MFCD00001009
Butane, chloro-
DTXCID00206
EC 203-696-6
4-01-00-00246 (Beilstein Handbook Reference)
NCGC00091059-01
1-chlorbutane
Chlorobutane, 1-
Chlorure de butyle [French]
CAS-109-69-3
Butyl chloride [NF]
n-butylchloride
n-chlorbutane
chloro-n-butane
Butane,chloro-
25154-42-1
n-butyl-chloride
1-chloranylbutane
chloromethylpropane
NBC Kaps Wormer
n-BuCl
CHLOROBUTANES
normal butyl chloride
n-C4H9Cl
Happy Jack Worm Capsules
1-Chlorobutane, HPLC Grade
WLN: G4
BUTYL CHLORIDE [HSDB]
CHEMBL47259
N-BUTYL CHLORIDE [MI]
1-Chlorobutane, p.a., 99%
NSC8419
Tox21_111072
Tox21_200865
1-Chlorobutane, anhydrous, 99.5%
BBL012221
STL163562
AKOS000118759
N-BUTYL CHLORIDE [GREEN BOOK]
DB11534
MCULE-5329900290
1-Chlorobutane, ReagentPlus(R), 99%
1-Chlorobutane, for HPLC, >=99.8%
NCGC00091059-02
NCGC00258419-01
1-Chlorobutane, HPLC grade, >=99.5%
1-Chlorobutane, purum, >=99.0% (GC)
NS00007880
EN300-19284
for HPLC, inverted exclamation markY99.5%
n-Chlorobutane [UN1127] [Flammable liquid]
A802074
Q161608
InChI=1/C4H9Cl/c1-2-3-4-5/h2-4H2,1H
J-002316
J-504525
F0001-0200
1-Chlorobutane, biotech. grade, for protein sequence analysis, >=99.8%
Microorganism:

Yes

IUPAC name1-chlorobutane
SMILESCCCCCl
InchiInChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3
FormulaC4H9Cl
PubChem ID8005
Molweight92.57
LogP2.6
Atoms5
Bonds2
H-bond Acceptor0
H-bond Donor0
Chemical Classificationhalogenated compounds chlorides

mVOC Specific Details

Boiling Point
DegreeReference
78.5 °C peer reviewed
Volatilization
Based on a Henry's Law constant of 0.0167 atm-cu m/mol(1), the volatilization of n-butyl chloride from a model river 1 m deep, flowing at 1 m/sec with a 3 m/sec wind is 2.9 hr(2). The volatilization half-life from a model pond is 34 hr(3). Due to its high vapor pressure and Henry's Law constant and low adsorptivity to soil, n-butyl chloride should volatilize rapidly from dry and moist soils(SRC).
Soil Adsorption
Using the water solubility for n-butyl chloride, 1100 mg/l(1), the Koc can be estimated to be 93 and 102 using two recommended regression equations(2,SRC). These estimates indicate that n-butyl chloride will have high mobility in soil(3).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus AmyloliquefaciensLeibnitz Institute DSMZ-German Collection of Microorganisms and Cell Cultures GmbHMülner et al. 2020
ProkaryotaBacillus AmyloliquefaciensNAMülner et al. 2020
ProkaryotaBacillus PumilusNAMülner et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Amyloliquefaciensnutrient agarHS-SPME/GC-MSno
ProkaryotaBacillus Pumilusnutrient agarHS-SPME/GC-MSno