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3-Bromoanisole

3-Bromoanisole structure

CAS No:
2398-37-0
Formula:
C7H7BrO
Chemical Name:
3-Bromoanisole
Synonyms:
Benzene,1-bromo-3-methoxy-;Anisole,m-bromo-;1-Bromo-3-methoxybenzene;m-Bromophenyl methyl ether;3-Bromoanisole;3-Methoxy-1-bromobenzene;m-Bromoanisole;3-Methoxybromobenzene;m-Bromomethoxybenzene;m-Methoxybromobenzene;m-Anisyl bromide;3-Methoxyphenyl bromide;m-Methoxyphenyl bromide;m-Bromoanisole;NSC 82293;3-Bromobenzene methyl ether
Categories:
Pharmaceutical Intermediates > Analgesics

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Description

Colorless Clear Liquid

3-Bromoanisole Basic Attributes

Molecular Weight：

187.03

Exact Mass：

187.03

BRN：

1524687

EC Number：

219-264-5

UNII：

7ZO6TY38WY

NSC Number：

82293

DSSTox ID：

DTXSID4044618

HScode：

29093038

Characteristics

PSA：

9.2

XLogP3：

Appearance：

Clear colorless to slightly yellow-brown Liquid

Density：

1.4±0.1 g/cm3

Melting Point：

106.7 °C

Boiling Point：

211 °C

Flash Point：

200 °F

Refractive Index：

1.539

Water Solubility：

Miscible in methanol, benzene, hexane, toluene and dichloromethane. Practically insoluble in water.

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.278mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

23-24/25

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidising agents, strong acids reducing agents.

Precautionary statement(s)：

P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (23.26%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, and P501|Aggregated GHS information provided by 48 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Bromoanisole Use and Manufacturing

Methods of Manufacturing

It is derived from the reaction between bromophenol and dimethyl sulfate. Dissolve m-bromophenol in sodium hydroxide solution, slowly add dimethyl sulfate dropwise with stirring, heat the reaction for 1 h, cool and separate the colorless oil. The water layer is extracted with ether, dried, and distilled to recover the ether. The residue and the oil are distilled under reduced pressure to obtain the finished product. The yield is 90%.

Uses

Organic synthesis raw materials. Used in organic synthesis; It is the main intermediate for the synthesis of anti-cancer, analgesic and pain medicine Qumaduo, and can be used in other medicines, dyes and organic synthesis.

Manufacturing Info：

Benzene, 1-bromo-3-methoxy-: ACTIVE

Computed Properties

Molecular Weight:187.03
XLogP3:3
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:85
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium methoxide

Hydrogen

Dimethyl carbonate

Methanol

Benzene

Sulfuric acid

Dimethyl sulfate

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