2-Bromobenzoic acid

CAS No. 88-65-3

Formula: C7H5BrO2
Basic Info

2-Bromobenzoic acid is a sterically hindered ortho-bromo compound that is used as a starting material to synthesize quinazolinones (e.g. 8-Hydroxy-2-methyl-4(3H)-quinazolinone [H948330]).

Formula
C7H5BrO2
Molecular Weight
201.017
Exact Mass
199.947
LogP
2.1473
PSA
37.3
Synonyms

Benzoic acid, 2-bromo-

2-BROMO BENZOIC ACID

2-bromo-5-benzoic acid

O-BROMO BENZOIC ACID

bromobenzoicacid

EINECS2

BROMO BENZOIC ACID, O-

2-Br-Ph-COOH

2-Bromobenzoicaicd

o-bromo-benzoicaci

Brombenzoicacid

O-BROMOBENZOIC ACID

2-BROMOBENZOIC ACID FOR SYNTHESIS

RARECHEM AL BO 0014

ortho-bromobenzoic acid

2-bromo-benzoicaci

2-Bromobenzoicacid

2-Brombenzoesure

2-BROMOANISOLE

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Properties
Appearance & Physical State
beige powder
Density
1.929
Boiling Point
296.4ºC at 760 mmHg
Melting Point
146-151ºC
Flash Point
>100ºC
Water Solubility
slightly soluble
Stability
Stable under normal temperatures and pressures.
Storage Condition
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 Info
RTECS
DG4448035
Safety Statements
S24/25
WGK Germany
3
Risk Statements
R36
HS Code
29163900
Hazard Class
5.1
Packing Group
II; III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 400 MHz in DMSO-d6
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IR Spectrum IR : KBr disc
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Mass Spectrum Mass spectrum (electron ionization)
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Analysis Methods
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Packed
Active Phase(℃)
SE-30
Retention index
1459.
Temperature Control
Method
temperature ramp
Comments
He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m
Reference
Peng, C.T.Ding, S.F.Hua, R.L.Yang, Z.C.Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar ColumnsJ. Chromatogr.1988, 436, 137-172.
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