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2-Bromobenzoic acid

2-Bromobenzoic acid structure

CAS No:
88-65-3
Formula:
C7H5BrO2
Chemical Name:
2-Bromobenzoic acid
Synonyms:
Benzoic acid,2-bromo-;Benzoic acid,o-bromo-;2-Bromobenzoic acid;o-Bromobenzoic acid;NSC 176122;NSC 6976;Benzoic acid,2-(bromocarbonyl)-;2375204-51-4
Categories:
Organic Chemistry > Free Radicals

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Description

White to light yellow crystal powder

2-Bromobenzoic acid Basic Attributes

Molecular Weight：

201.019

Exact Mass：

201.02

EC Number：

201-848-6

UNII：

AZ789TZS4L

NSC Number：

6976

DSSTox ID：

DTXSID3038690

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

2.2

Appearance：

beige powder

Density：

1.929 g/cm³

Melting Point：

150 °C

Boiling Point：

86 °C @ Press: 4-5 Torr

Flash Point：

133.1±22.6 °C

Refractive Index：

1.608

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

>1 mm Hg ( 20 °C)

Safety Information

Packing level：

II; III

Hazard category：

5.1

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36

safety instructions：

S26-S36-S24/25-S37/39

RTECS Number：

DG4448035

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 48 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-bromobenzoic acid

2-Bromobenzoic acid Use and Manufacturing

Manufacturing Info：

Benzoic acid, 2-bromo-: ACTIVE

Computed Properties

Molecular Weight:201.02
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:199.94729
Monoisotopic Mass:199.94729
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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