5-Chloro-2-methylbenzoic acid
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5-Chloro-2-methylbenzoic acid
structure -
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CAS No:
7499-06-1
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Formula:
C8H7ClO2
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Chemical Name:
5-Chloro-2-methylbenzoic acid
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Synonyms:
Benzoic acid,5-chloro-2-methyl-;o-Toluic acid,5-chloro-;5-Chloro-2-methylbenzoic acid;5-Chloro-o-toluic acid;NSC 407520;3-Chloro-6-methylbenzoic acid
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CAS No:
Description
White powder
5-chloro-2-methylbenzoic acid is a member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by methyl and chloro groups, respectively. It is a chlorobenzoic acid, a member of monochlorobenzenes and a member of toluenes.
5-Chloro-2-methylbenzoic acid Basic Attributes
170.593
170.59
627-760-1
407520
DTXSID70225945
2916399090
Characteristics
37.30000
2.4
White or yellowish powder
1.3±0.1 g/cm3
169.5-171.0 °C
293.5±20.0 °C at 760 mmHg
131.3±21.8 °C
1.573
Safety Information
NONH for all modes of transport
3
R36/37/38
26-36/37/39
Xi,Xn
P261-P280-P305 + P351 + P338
H302-H315-H318-H335
|Danger|H302 (92.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:170.59
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.0134572
Monoisotopic Mass:170.0134572
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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