3-Chloro-4-methoxybenzoic acid
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3-Chloro-4-methoxybenzoic acid
structure -
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CAS No:
37908-96-6
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Formula:
C8H7ClO3
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Chemical Name:
3-Chloro-4-methoxybenzoic acid
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Synonyms:
Benzoic acid,3-chloro-4-methoxy-;3-Chloro-4-methoxybenzoic acid;N-(3-Chloro-4-methoxyphenyl)carbamic acid;1450802-52-4
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CAS No:
3-Chloro-4-methoxybenzoic acid Basic Attributes
186.59
186.59
2087584
253-708-9
DTXSID20191343
29189900
Safety Information
IRRITANT
UN 3077 9/PG 3
2
22-50
60-61
Xn,N
P273-P301 + P310-P305 + P351 + P338
H301-H319-H400
|Danger|H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Chloro-4-methoxybenzoic acid Use and Manufacturing
3-Chloro-4-Methoxybenzoic Acid is used in the synthesis of cyclooxygenase-2 (COX-2) inhibitors, NSAIDs used in the treatment of inflammation or pain.
Computed Properties
Molecular Weight:186.59
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:186.0083718
Monoisotopic Mass:186.0083718
Topological Polar Surface Area:46.5
Heavy Atom Count:12
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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