CAS 1458-98-6|3-bromo-2-methylprop-1-ene|3-bromo-2-methylprop-1-ene|3-Bromo-2-methylpropene|甲基烯丙基溴|Methylallyl bromide|Methallyl bromide|甲基烯丙溴|3-溴-2-甲基丙烯|3-Bromo-2-methylpropene|3-Br...

Molecular Formula

C₄H₇Br

Molecular Mass

135.00238

Exact Mass

133.97311222

InChI

InChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3

InChIKey

USEGQJLHQSTGHW-UHFFFAOYSA-N

Canonic Smiles

CC(=C)CBr

Isomeric Smiles

C(=C)(CBr)C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.9961212

LogD (pH = 7.4)

1.9961212

Log P

1.9961212

Molar Refractivity

27.7405

Polarizability

10.5942135

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

357785

Synonyms

3-Bromo-2-methylpropene3-Bromo-2-methylpropene甲基烯丙基溴Methylallyl bromide甲基烯丙溴Methallyl bromide3-溴-2-甲基丙烯3-Bromo-2-methylprop-1-ene

IUPAC Traditional name

3-bromo-2-methylprop-1-ene

IUPAC name

3-bromo-2-methylprop-1-ene

PubChem SID

16097959824861353

MDL Number

MFCD00134155

CAS Number

1458-98-6

TSCA Listed

false

MSDS Link

Download link

Storage Warning

LACHRYMATOR, FLAMMABLE

Highly Flammable/Corrosive/Keep Cold

H225-H302-H314-H332

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

11-20/22-34-51/53

9-16-26-29-36/37/39-45-61

P210-P280-P305+P351+P338-P310

UN 2924 3/PG 2

Physical Property

Product Information

97%

95%

0.1% hydroquinone

H2C=C(CH3)CH2Br

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

345830

Application
Used in a study of chiral phase transfer alkylation leading to (S)-α-alkylcysteines.1
Packaging
5, 25 mL in glass bottle

No Data Available

Click here to submit data

Academic Data

PubChem

357785

Synonyms

3-Bromo-2-methylpropene3-Bromo-2-methylpropene甲基烯丙基溴Methylallyl bromide甲基烯丙溴Methallyl bromide3-溴-2-甲基丙烯3-Bromo-2-methylprop-1-ene

IUPAC Traditional name

3-bromo-2-methylprop-1-ene

IUPAC name

3-bromo-2-methylprop-1-ene

PubChem SID

MDL Number

CAS Number

345830

Application
Used in a study of chiral phase transfer alkylation leading to (S)-α-alkylcysteines.1
Packaging
5, 25 mL in glass bottle

No Data Available

Click here to submit data

Safety Information

Physical Property

Product Information

97%

95%

0.1% hydroquinone

H2C=C(CH3)CH2Br

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Nature polluting (N)

Flammable (F)

Melting Point

94 - 95°C

Hydrophobicity(logP)

2.049

Molecule

ID:16291