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2-Nitrobenzenethiol

2-Nitrobenzenethiol structure

CAS No:
4875-10-9
Formula:
C6H5NO2S
Chemical Name:
2-Nitrobenzenethiol
Synonyms:
Benzenethiol,2-nitro-;Benzenethiol,o-nitro-;2-Nitrobenzenethiol;o-Nitrobenzenethiol;2-Nitrothiophenol;o-Nitrothiophenol;o-Mercaptonitrobenzene;2-Nitrobenzene-1-thiol
Categories:
Organic Chemistry > Alcohols, Phenols, Phenol Alcohols

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2-Nitrobenzenethiol Basic Attributes

Molecular Weight：

155.17

Exact Mass：

155.17

EC Number：

225-483-7

DSSTox ID：

DTXSID60197602

Characteristics

PSA：

46.8

XLogP3：

2.45

Density：

1.4±0.1 g/cm3

Melting Point：

56 °C

Boiling Point：

262.5±23.0 °C at 760 mmHg

Flash Point：

112.6±22.6 °C

Refractive Index：

1.639

Safety Information

Precautionary statement(s)：

P260, P264, P270, P271, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P320, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P271, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:155.18
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:155.00409958
Monoisotopic Mass:155.00409958
Topological Polar Surface Area:46.8
Heavy Atom Count:10
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes