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Methyl 4-bromobenzoate

Methyl 4-bromobenzoate structure

CAS No:
619-42-1
Formula:
C8H7BrO2
Chemical Name:
Methyl 4-bromobenzoate
Synonyms:
Benzoic acid,4-bromo-,methyl ester;Benzoic acid,p-bromo-,methyl ester;p-Bromobenzoic acid methyl ester;Methyl p-bromobenzoate;Methyl 4-bromobenzoate;1-Bromo-4-(methoxycarbonyl)benzene;4-Bromobenzoic acid methyl ester;NSC 9392;4-Methoxycarbonylphenyl bromide;4-Methoxycarbonyl-1-bromobenzene
Categories:
Chemical Reagents > Organic Reagents

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Description

WHITE CRYSTALS OR CRYSTALLINE POWDER

Methyl 4-bromobenzoate Basic Attributes

Molecular Weight：

215.04

Exact Mass：

215.04

BRN：

2045132

EC Number：

210-596-6

UNII：

UB1YSJ5XAR

NSC Number：

9392

DSSTox ID：

DTXSID7060702

HScode：

29163990

Characteristics

PSA：

26.3

XLogP3：

Appearance：

White Crystals or Crystalline Powder

Density：

1.5±0.1 g/cm3

Melting Point：

81 °C

Boiling Point：

252.95°C (rough estimate)

Flash Point：

112.4±19.8 °C

Refractive Index：

1.550

Water Solubility：

Insoluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-24/25

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 4-bromobenzoate Use and Manufacturing

Uses

4-Bromobenzoic Acid Methyl Ester is halogenated benzoate used as a reagent in organic synthesis. 4-Bromobenzoic Acid Methyl Ester can be used to stimulate microbial dechlorination of PCBs. 4-Bromobenzoic Acid Methyl Ester is also used in the preparation of stable radioiodinating reagent to label monoclonal antibodies for radiotherapy of cancer.

Manufacturing Info：

Benzoic acid, 4-bromo-, methyl ester: ACTIVE

Computed Properties

Molecular Weight:215.04
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:213.96294
Monoisotopic Mass:213.96294
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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