4-Mercaptobenzoic acid
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4-Mercaptobenzoic acid
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CAS No:
1074-36-8
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Formula:
C7H6O2S
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Chemical Name:
4-Mercaptobenzoic acid
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Synonyms:
Benzoic acid,4-mercapto-;Benzoic acid,p-mercapto-;4-Mercaptobenzoic acid;p-Mercaptobenzoic acid;4-Carboxybenzenethiol;4-Carboxythiophenol;p-Carboxybenzenethiol;NSC 32022
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CAS No:
Characteristics
76.10000
2.56
1.3±0.1 g/cm3
216-219 °C
314.3±25.0 °C at 760 mmHg
143.9±23.2 °C
1.642
Hygroscopic, Refrigerator, Under Inert Atmosphere
Safety Information
UN 3335
3
36/37/38
26-36
Xi
Irritant
Store Under Argon; Air and Temperature Sensitive
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 43 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:154.19
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:154.00885060
Monoisotopic Mass:154.00885060
Topological Polar Surface Area:38.3
Heavy Atom Count:10
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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