2-Bromo-4-methylbenzoic acid
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2-Bromo-4-methylbenzoic acid
structure -
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CAS No:
7697-27-0
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Formula:
C8H7BrO2
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Chemical Name:
2-Bromo-4-methylbenzoic acid
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Synonyms:
Benzoic acid,2-bromo-4-methyl-;p-Toluic acid,2-bromo-;2-Bromo-4-methylbenzoic acid;NSC 16629
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CAS No:
2-Bromo-4-methylbenzoic acid Basic Attributes
215.04
215.04
1312995-182-4
16629
DTXSID90280374
29163990
Characteristics
37.3
3.5
1.2±0.1 g/cm3
141-142 °C @ Solvent: Water, Ethanol
320.5ºC at 760 mmHg
200.0±27.3 °C
1.470
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36/37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 6 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:215.04
XLogP3:3.5
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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