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1-Bromo-2-phenylpropane

1-Bromo-2-phenylpropane structure

CAS No:
1459-00-3
Formula:
C9H11Br
Chemical Name:
1-Bromo-2-phenylpropane
Synonyms:
Benzene,(2-bromo-1-methylethyl)-;Cumene,β-bromo-;(2-Bromo-1-methylethyl)benzene;1-Bromo-2-phenylpropane;2-Phenylpropyl bromide;β-Bromoisopropylbenzene;2-Methyl-2-phenylethyl bromide;NSC 43688;(1-Bromopropan-2-yl)benzene;1-Bromopropan-2-ylbenzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

1-Bromo-2-phenylpropane is a compound used as an alkylating agent in research and development applications and can be used as an intermediate in the synthesis of other compounds. It is a rate enhancer and can be used to increase the reaction rate of chemical reactions. Its molecular weight is 199.09, melting point is -59.3°C, boiling point is 115-116°C 15 mm, density is 1,314 g/cm3, refractive index is 1.5470, and flash point is 90°C.

1-Bromo-2-phenylpropane Basic Attributes

Molecular Weight：

199.09

Exact Mass：

199.09

BRN：

1931254

EC Number：

215-948-2

NSC Number：

43688

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.18500

Density：

1.373 g/cm³ @ Temp: 14 °C

Melting Point：

-59.3 °C

Boiling Point：

188.5 °C

Flash Point：

90°C

Refractive Index：

1.547

Safety Information

hazard class code：

36/38

safety instructions：

26-36

Precautionary statement(s)：

P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, and P501|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Bromo-2-phenylpropane Use and Manufacturing

1-Bromo-2-phenylpropane is a building block, and an intermediate in the synthesis of β-Methylfentanyl Hydrochloride (M305375), an analog of the analgesic drug Fentanyl (F274990) and a regioisomer of α-Methyl Fentanyl Hydrochloride. 1-Bromo-2-phenylpropane can be used as a reagent in organic synthesis reactions and helps in creating various chemical compounds for research purposes.

Computed Properties

Molecular Weight:199.09
XLogP3:3.9
Rotatable Bond Count:2
Exact Mass:198.00441
Monoisotopic Mass:198.00441
Heavy Atom Count:10
Complexity:84.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes