ChemicalBook--->CAS DataBase List--->78-77-3

78-77-3

78-77-3 Structure

78-77-3 Structure
IdentificationMore
[Name]

1-Bromo-2-methylpropane
[CAS]

78-77-3
[Synonyms]

1-BROMO-2-METHYLPROPANE
ISOBUTYL BROMIDE
1-bromo-2-methyl-propan
1-Bromo-iso-butame
2-Methylpropylbromide
bromoisobutane
i-Butyl bromide
Isobutylbromid
iso-C4H9Br
Propane,1-bromo-2-methyl-
Isobutylbromide,97%
ISOBUTYL BROMIDE/1-BROMO-2-METHYLPROPANE
1-Bromo-2-methylpropane, 98+%
1-BROMO-2-METHGL PROPANE
ISO BUTYL BROMIDE pure
[EINECS(EC#)]

201-141-2
[Molecular Formula]

C4H9Br
[MDL Number]

MFCD00000217
[Molecular Weight]

137.02
[MOL File]

78-77-3.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR LIQUID
[Melting point ]

-119 °C
[Boiling point ]

90-92 °C(lit.)
[density ]

1.26 g/mL at 20 °C(lit.)
[vapor pressure ]

41 hPa (20 °C)
[refractive index ]

n20/D 1.435(lit.)
[Fp ]

65 °F
[storage temp. ]

Flammables area
[solubility ]

0.51g/l slightly soluble
[form ]

Liquid
[color ]

Clear colorless
[Water Solubility ]

0.51 g/L (18 ºC)
[Merck ]

14,5135
[BRN ]

1730915
[Henry's Law Constant]

4.2×10-4 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
[Dielectric constant]

4.0(-7℃)
[Stability:]

Volatile
[InChI]

1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
[InChIKey]

HLVFKOKELQSXIQ-UHFFFAOYSA-N
[SMILES]

CC(C)CBr
[CAS DataBase Reference]

78-77-3(CAS DataBase Reference)
[NIST Chemistry Reference]

Propane, 1-bromo-2-methyl-(78-77-3)
[EPA Substance Registry System]

78-77-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Danger
[Hazard statements ]

H225
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Hazard Codes ]

F,Xi
[Risk Statements ]

R11:Highly Flammable.
R37:Irritating to the respiratory system.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 2342 3/PG 2
[WGK Germany ]

3
[RTECS ]

TX4140000
[F ]

8
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29033036
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 2
[Safety Profile]

Questionable carcinogen with experimental neoplastigenic data. Moderately toxic by intraperitoneal route. A dangerous fire hazard when exposed to heat or flame. When heated to decomposition it emits toxic fumes of Br-. See also BROMIDES.
[Toxicity]

LD50 orally in Rabbit: > 2000 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Methyl-1-propanol
[Preparation Products]

Sibutramine-->Isobutylamine-->Isobutylmercaptan-->4-isobutylaniline-->Ethyl 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-5-thiazolecarboxylate-->Ethyl 2-isobutylacetoacetate-->3-Methylbutanenitrile-->2-methyl-1-nitropropane-->5-tert-butyl-2-furoic acid-->ISOBUTYLMAGNESIUM BROMIDE-->Isobutyl nitrite-->Diisobutylphenylphosphine-->Di-tert-butyl-isobutyl-phosphane
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Isobutyl bromide(78-77-3).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR LIQUID
[Uses]

1-Bromo-2-methylpropane is used as a synthetic reagent for the preparation of 1-ethyl-1,3-isobutylimidazolium bromide by reaction with 1-ethylimidazole.
[Purification Methods]

Partially hydrolyse it to remove any tertiary alkyl halide, then fractionally distil it, then wash it with conc H2SO4, water and aqueous K2CO3, then redistil it from dry K2CO3. [Dunbar & Hammett J Am Chem Soc 72 109 1950, Beilstein 1 IV 294.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Bromo-2-methylpropane(78-77-3)MS
1-Bromo-2-methylpropane(78-77-3)1HNMR
1-Bromo-2-methylpropane(78-77-3)13CNMR
1-Bromo-2-methylpropane(78-77-3)IR1
1-Bromo-2-methylpropane(78-77-3)IR2
1-Bromo-2-methylpropane(78-77-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Bromo-2-methylpropane, 98+%(78-77-3)
[Alfa Aesar]

1-Bromo-2-methylpropane, 98+%(78-77-3)
[Sigma Aldrich]

78-77-3(sigmaaldrich)
[TCI AMERICA]

1-Bromo-2-methylpropane,>97.0%(GC)(78-77-3)
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