4-Bromo-3-methylbenzoic acid
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4-Bromo-3-methylbenzoic acid
structure -
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CAS No:
7697-28-1
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Formula:
C8H7BrO2
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Chemical Name:
4-Bromo-3-methylbenzoic acid
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Synonyms:
Benzoic acid,4-bromo-3-methyl-;m-Toluic acid,4-bromo-;4-Bromo-3-methylbenzoic acid;3-Methyl-4-bromobenzoic acid
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CAS No:
Characteristics
37.3
3.1
White or reddish crystal powder
1.6±0.1 g/cm3
212-212.5 °C
311.4ºCat 760 mmHg
142.1±24.6 °C
1.595
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|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 110 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:215.04
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:213.96294
Monoisotopic Mass:213.96294
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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