513-36-0

Name Isobutyl chloride
CAS 513-36-0
EINECS(EC#) 208-157-9
Molecular Formula C4H9Cl
MDL Number MFCD00000954
Molecular Weight 92.57
MOL File 513-36-0.mol
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Chemical Properties

Appearance CLEAR COLOURLESS LIQUID
Melting point  -131 °C (lit.)
Boiling point  68-69 °C (lit.)
density  0.883 g/mL at 25 °C(lit.)
vapor pressure  161 hPa (20 °C)
refractive index  n20/D 1.398(lit.)
Fp  70 °F
storage temp.  2-8°C
solubility  H2O: insoluble
form  Liquid
color  Colorless to Almost colorless
explosive limit 2.0-8.8%(V)
Water Solubility  28 mg/l (20 ºC)
Detection Methods GC,NMR
Merck  14,5138
BRN  635650
Henry's Law Constant 8.3×10-3 mol/(m3Pa) at 25℃, Mackay and Shiu (1981)
Dielectric constant 7.1（20℃）
InChI 1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey QTBFPMKWQKYFLR-UHFFFAOYSA-N
SMILES CC(C)CCl
Surface tension 22.31mN/m at 293.15K
CAS DataBase Reference 513-36-0(CAS DataBase Reference)
NIST Chemistry Reference Propane, 1-chloro-2-methyl-(513-36-0)
EPA Substance Registry System 513-36-0(EPA Substance)
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Safety Data

Hazard Codes  F
Risk Statements 
R11:Highly Flammable.
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S9:Keep container in a well-ventilated place .
S33:Take precautionary measures against static discharges .
S29:Do not empty into drains .
RIDADR  UN 1127 3/PG 2
WGK Germany  3
Autoignition Temperature 395 °C
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  II
HS Code  29031990
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2

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Material Safety Data Sheet(MSDS)

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