4-(TRIFLUOROMETHYL)THIOPHENOL
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4-(TRIFLUOROMETHYL)THIOPHENOL
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CAS No:
825-83-2
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Formula:
C7H5F3S
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Chemical Name:
4-(TRIFLUOROMETHYL)THIOPHENOL
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Synonyms:
4-(TRIFLUOROMETHYL)T;4-MERCAPTOBENZOTRIFLUORIDE;4-(Trifluoromethylthio)phenol;4-(Trifluoromethyl)benzenethiol;4-(Trifluoromethyl)thiophenol97%;4-(TRIFLUOROMETHYL)BENZENE-1-THIOL;4-(Trifluoromethyl)benzene-1-thiol, Tech.;A12725, 4-(Trifluoromethyl)thiophenol, 97%;4-Mercaptobenzotrifluoride, 4-(Trifluoromethyl)benzenethiol, 4-(Trifluoromethyl)phenyl mercaptan
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CAS No:
Characteristics
38.80000
3.49
clear colorless to light yellow liquid
1.3±0.1 g/cm3
56-57
179.2±40.0 °C at 760 mmHg
64.9±15.6 °C
1.493
Insoluble in water.
Refrigerator (+4ºC)
Safety Information
UN 2810
R36/37/38
S37/39-S26
Xi:Irritant;
P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301+H311+H331
|Danger|H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P261, P264, P270, P271, P280, P284, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:178.18
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:178.00640582
Monoisotopic Mass:178.00640582
Topological Polar Surface Area:1
Heavy Atom Count:11
Complexity:124
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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