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3-Bromocumene

3-Bromocumene structure

CAS No:
5433-01-2
Formula:
C9H11Br
Chemical Name:
3-Bromocumene
Synonyms:
3-BROMOCUMENE;m-bromocumene;cumene,3-bromo-;m-bromoisopropylbenzene;3-BROMOISOPROPYLBENZENE;3-ISOPROPYLBROMOBENZENE;1-BROMO-3-ISOPROPYLBENZENE;1-bromo-3-propan-2-ylbenzene;1-bromo-3-propan-2-yl-benzene;1-Bromo-3-(1-methylethyl)benzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Clear colorless to yellow liquid

3-Bromocumene Basic Attributes

Molecular Weight：

199.088

Exact Mass：

198.004410

NSC Number：

29089

DSSTox ID：

DTXSID50202698

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.8

Density：

1.3±0.1 g/cm3

Melting Point：

-10°C (estimate)

Boiling Point：

210.6±9.0 °C at 760 mmHg

Flash Point：

81.8±13.1 °C

Refractive Index：

1.530

Water Solubility：

Difficult to mix in water.

Safety Information

hazard class code：

22-50/53

safety instructions：

S24/25

Marks：

Precautionary statement(s)：

P210, P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, P501

Hazard Statements：

H227

GHS Classification：

|Warning|H227 (16.67%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:199.09
XLogP3:3.8
Rotatable Bond Count:1
Exact Mass:198.00441
Monoisotopic Mass:198.00441
Heavy Atom Count:10
Complexity:98.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Bromocumene

CAS No.: 5433-01-2

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