3-(TRIFLUOROMETHYLTHIO)BENZOICACID
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3-(TRIFLUOROMETHYLTHIO)BENZOICACID
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CAS No:
946-65-6
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Formula:
C8H5F3O2S
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Chemical Name:
3-(TRIFLUOROMETHYLTHIO)BENZOICACID
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Synonyms:
RARECHEM AL BO 0859;3-(TRIFLUOROMETHYLTHIO)BENZOIC ACID;3-(Trifluoromethylthio)benzoicacid98%;3-TRIFLUOROMETHYLSULFANYL-BENZOIC ACID;3-(Trifluoromethylthio)benzoic acid 98%;3-[(Trifluoromethyl)sulphanyl]benzoic acid;3-[(Trifluoromethyl)-mercapto]-benzoic acid;3-(Trifluoromethylthio)benzoic acid,m-(Trifluoromethylthio)benzoic acid;3-[(Trifluoromethyl)sulphanyl]benzoic acid, 3-Carboxyphenyl trifluoromethyl sulphide
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CAS No:
Characteristics
62.60000
3.33
WHITE POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
1.5±0.1 g/cm3
71-74 °C(lit.)
229.5±40.0 °C at 760 mmHg
92.6±27.3 °C
1.537
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:222.19
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:221.99623506
Monoisotopic Mass:221.99623506
Topological Polar Surface Area:62.6
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(TRIFLUOROMETHYLTHIO)BENZOICACID
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