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4-Bromoanisole

4-Bromoanisole structure

CAS No:
104-92-7
Formula:
C7H7BrO
Chemical Name:
4-Bromoanisole
Synonyms:
Benzene,1-bromo-4-methoxy-;Anisole,p-bromo-;1-Bromo-4-methoxybenzene;p-Bromoanisole;4-Bromoanisole;p-Bromanisole;p-Bromophenyl methyl ether;4-Methoxy-1-bromobenzene;p-Methoxyphenyl bromide;p-Methoxybromobenzene;4-Methoxybromobenzene;4-Anisyl bromide;4-Methoxyphenyl bromide;p-Anisyl bromide;4-Bromomethoxybenzene;p-Bromomethoxybenzene;4-Bromo-1-methoxybenzene;1-Methoxy-4-bromobenzene;NSC 8042;4-Bromoanisol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

colourless liquidChEBI: A monomethoxybenzene carrying a bromo substituent at position 4.

4-bromoanisole is a monomethoxybenzene carrying a bromo substituent at position 4. It is a monomethoxybenzene and an organobromine compound.

4-Bromoanisole Basic Attributes

Molecular Weight：

187.036

Exact Mass：

187.03

EC Number：

203-252-1

UNII：

U430F901J9

NSC Number：

8042

DSSTox ID：

DTXSID2059308

HScode：

29093038

Characteristics

PSA：

9.2

XLogP3：

3.16

Density：

1.494 g/mL at 25 °C(lit.)

Melting Point：

13.5 °C

Boiling Point：

215 °C

Flash Point：

202 °F

Refractive Index：

n 20/D 1.564(lit.)

Water Solubility：

immiscible

Vapor Pressure：

0.20 mmHg

Toxicity：

LD50 orl-mus: 2200 mg/kg GISAAA 44(12),19,79

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

23-24/25

RTECS Number：

BZ8501000

Marks：

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P260, P264, P273, P280, P302+P352, P314, P321, P332+P313, P362, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (10.31%): Causes skin irritation [Warning Skin corrosion/irritation]|P260, P264, P273, P280, P302+P352, P314, P321, P332+P313, P362, and P501|Aggregated GHS information provided by 101 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromoanisole Use and Manufacturing

Manufacturing Info：

Benzene, 1-bromo-4-methoxy-: ACTIVE

Computed Properties

Molecular Weight:187.03
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:185.96803
Monoisotopic Mass:185.96803
Topological Polar Surface Area:9.2
Heavy Atom Count:9
Complexity:77
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Dimethyl sulfate

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