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1-Bromo-2-methylpropane

1-Bromo-2-methylpropane structure

CAS No:
78-77-3
Formula:
C4H9Br
Chemical Name:
1-Bromo-2-methylpropane
Synonyms:
Propane,1-bromo-2-methyl-;1-Bromo-2-methylpropane;Isobutyl bromide;iso-Butyl bromide;Bromoisobutane;2-Methylpropyl bromide;NSC 8416;1-Methyl-2-propyl bromide;3-Bromo-2-methylpropane;2-Methyl-1-bromopropane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR LIQUID

1-Bromo-2-methylpropane Basic Attributes

Molecular Weight：

137.02

Exact Mass：

137.02

BRN：

1730915

EC Number：

201-141-2

UNII：

5OEC0BW987

NSC Number：

8416

UN Number：

2342

DSSTox ID：

DTXSID1052539

HScode：

29033036

Characteristics

PSA：

XLogP3：

2.56

Appearance：

Clear colorless Liquid

Density：

1.2616 g/cm³ @ Temp: 25 °C

Melting Point：

-119 °C

Boiling Point：

91.1 °C

Flash Point：

65 °F

Refractive Index：

1.436

Water Solubility：

H2O: 0.51 g/L (18 ºC);slightly soluble

Storage Conditions：

Flammables area

Vapor Pressure：

41 hPa (20 °C)

Toxicity：

Abdominal cavity-mouse LD50: 1660 mg/kg

Flammability characteristics：

Open flame, heat, oxidant is flammable; in case of acid, heat releases toxic gas containing bromide

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 2342 3/PG 2

wgk germany：

hazard class code：

11-37-36/37/38

safety instructions：

16-23-37/39-26

RTECS Number：

TX4140000

Marks：

F,Xi

Storage features：

The warehouse is ventilated, low temperature and dry; lightly loaded and unloaded, stored separately from oxidants and acids

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210-P261-P305 + P351 + P338

Hazard Statements：

H225-H315-H319-H335

Fire Hazards：

Flammable - 3rd degree

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 95 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

Toxicity

Toxicity class：

moderately toxic

1-Bromo-2-methylpropane Use and Manufacturing

Methods of Manufacturing

The isobutanol was cooled to -10°C, and phosphorus tribromide was slowly added dropwise to keep the reaction solution below 0°C. After the dripping is completed, the temperature is naturally raised to room temperature under stirring, and it is left overnight, and then purified by distillation under reduced pressure to obtain 1-bromo-2-methylpropane.

Uses

Solvents, organic synthesis and pharmaceutical intermediates.

Manufacturing Info：

Propane, 1-bromo-2-methyl-: ACTIVE

Use Classification：

Fire Hazards -> Flammable - 3rd degree

Computed Properties

Molecular Weight:137.02
XLogP3:2.3
Rotatable Bond Count:1
Exact Mass:135.98876
Monoisotopic Mass:135.98876
Heavy Atom Count:5
Complexity:17.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Butane

Isobutylene

Isobutyl chloride

Isobutane

Isobutanol

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