Benzenethiol, 2-amino-4-(trifluoromethyl)-, hydrochloride (1:1)
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Benzenethiol, 2-amino-4-(trifluoromethyl)-, hydrochloride (1:1)
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CAS No:
4274-38-8
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Formula:
C7H6F3NS.ClH
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Chemical Name:
Benzenethiol, 2-amino-4-(trifluoromethyl)-, hydrochloride (1:1)
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Synonyms:
Benzenethiol,2-amino-4-(trifluoromethyl)-,hydrochloride (1:1);p-Toluenethiol,2-amino-α,α,α-trifluoro-,hydrochloride;Benzenethiol,2-amino-4-(trifluoromethyl)-,hydrochloride;3-Amino-4-mercaptobenzotrifluoride hydrochloride;4-Trifluoromethyl-2-aminothiophenol hydrochloride;2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride;2-Amino-4-(trifluoromethyl)benzene-1-thiol hydrochloride
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CAS No:
Benzenethiol, 2-amino-4-(trifluoromethyl)-, hydrochloride (1:1) Basic Attributes
229.65
228.99400
4273774
429-560-8
277274
DTXSID9057898
2930909090
Characteristics
64.82000
3.95950
white to light yellow crystal powder
1.401 g/cm3
200-202 °C
241.5ºC at 760 mmHg
99.8ºC
Safety Information
III
6.1
UN2811
3
20/21/22-36/37/38
26-37/39
Xn,T
Toxic
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P314, P321, P322, P330, P333+P313, P363, P391, P405, and P501|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P314, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:229.65
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Exact Mass:228.9939826
Monoisotopic Mass:228.9939826
Topological Polar Surface Area:27
Heavy Atom Count:13
Complexity:159
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Benzenethiol, 2-amino-4-(trifluoromethyl)-, hydrochloride (1:1)
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