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2-Phenylthiophenol

2-Phenylthiophenol structure

CAS No:
2688-96-2
Formula:
C12H10S
Chemical Name:
2-Phenylthiophenol
Synonyms:
BIPHENYL-2-THIOL;2-PHENYLTHIOPHENOL;2-MERCAPTOBIPHENYL;2-phenylbenzene-1-thiol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

off-white solid

2-Phenylthiophenol Basic Attributes

Molecular Weight：

186.27300

Exact Mass：

186.05000

DSSTox ID：

DTXSID00375144

HScode：

2930909090

Characteristics

PSA：

38.80000

XLogP3：

3.64230

Density：

1.113g/cm3

Melting Point：

108-110ºC

Boiling Point：

103ºC/0.1mm

Flash Point：

146.4ºC

Refractive Index：

1.623

Safety Information

Transport codes：

2337

hazard class code：

10-24/25-26-41

safety instructions：

23-26-28-36/37/39-45

Precautionary statement(s)：

P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P391, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:186.27
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:186.05032149
Monoisotopic Mass:186.05032149
Topological Polar Surface Area:1
Heavy Atom Count:13
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes