5-Fluoro-2-mercaptobenzoic acid
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5-Fluoro-2-mercaptobenzoic acid
structure -
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CAS No:
120121-07-5
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Formula:
C7H5FO2S
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Chemical Name:
5-Fluoro-2-mercaptobenzoic acid
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Synonyms:
Benzoic acid,5-fluoro-2-mercapto-;5-Fluoro-2-mercaptobenzoic acid;5-Fluoro-2-sulfanylbenzoic acid
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CAS No:
Characteristics
38.3
2.90
1.5±0.1 g/cm3
137-142 °C(lit.)
294.1±25.0 °C at 760 mmHg
131.7±23.2 °C
1.613
0.000754mmHg at 25°C
Safety Information
UN 3335
3
36/37/38
26-36
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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:172.18
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:171.99942873
Monoisotopic Mass:171.99942873
Topological Polar Surface Area:38.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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