ChemicalBook--->CAS DataBase List--->513-36-0

513-36-0

513-36-0 Structure

513-36-0 Structure
IdentificationMore
[Name]

Isobutyl chloride
[CAS]

513-36-0
[Synonyms]

1-CHLORO-2-METHYLPROPANE
1-CHLOROISOBUTANE
3-CHLORO-2-METHYLPROPANE
ISOBUTYL CHLORIDE
1-Chlor-2-methylpropan
1-chloro-2-methyl-propan
2-Chloromethylpropane
2-Methyl-1-chloropropane
2-Methylpropylchloride
Chloroisobutane
Isobutylchlorid
iso-C4H9Cl
iso-Chloro-butane
Propane,1-chloro-2-methyl-
ISOBUTYL CHLORIDE/1-CHLORO-2-METHYLPROPANE
CHLORO-2-METHYLPROPANE
1-Chloro-2-methylpropane ,99%
[EINECS(EC#)]

208-157-9
[Molecular Formula]

C4H9Cl
[MDL Number]

MFCD00000954
[Molecular Weight]

92.57
[MOL File]

513-36-0.mol
Chemical PropertiesBack Directory
[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)
Safety DataBack Directory
[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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Zinc chloride-->2-Methyl-1-propanol
[Preparation Products]

3-(Trifluoromethyl)phenyl isocyanate-->4-Isobutoxyphenylboronic acid-->sodium (3,6or3,7)-bis(1,1-dimethylethyl)naphthalene-1-sulphonate-->2-Naphthalenol, 1,6-bis(1,1-dimethylethyl)--->Isobutyl benzoate-->Triethoxyisobutylsilane-->Benzophenone-->Dichlorobis(2-methylpropyl)silane-->4-Isobutoxy-3-methoxybenzaldehyde
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-chloroisobutane(513-36-0).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Uses]

1-Chloro-2-methylpropane is used to prepare an organometllic compound, isobutyllithium by reacting with lithium using petroleum ether as a solvent.
[General Description]

The gas-solid virial co-effiicent of 1-chloro-2-methylpropane was determined. The infrared and Raman spectra of 1-chloro-2-methylpropane was studied.
[Synthesis]

1) After adding a quantity of sulfoxide chloride to a 250mL three-necked flask, add a small amount of pyridine and keep the reaction at a constant temperature. . (2) Add a quantity of isobutanol to a dropping funnel, adjust the piston so that it is droppe
[Purification Methods]

Use the same methods as described under isoamyl chloride.[Beilstein 1 IV 287.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Chloro-2-methylpropane(513-36-0)MS
1-Chloro-2-methylpropane(513-36-0)1HNMR
1-Chloro-2-methylpropane(513-36-0)13CNMR
1-Chloro-2-methylpropane(513-36-0)IR1
1-Chloro-2-methylpropane(513-36-0)IR2
1-Chloro-2-methylpropane(513-36-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Chloro-2-methylpropane, 98%(513-36-0)
[Sigma Aldrich]

513-36-0(sigmaaldrich)
[TCI AMERICA]

1-Chloro-2-methylpropane,>98.0%(GC)(513-36-0)
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