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Sodium thiophenolate

Sodium thiophenolate structure

CAS No:
930-69-8
Formula:
C6H6S.Na
Chemical Name:
Sodium thiophenolate
Synonyms:
Benzenethiol,sodium salt (1:1);Benzenethiol,sodium salt;Sodium,(phenylthio)-;Benzenethiol,sodium deriv.;Sodium thiophenolate;Sodium thiophenoxide;Sodium benzenethiolate;Thiophenol sodium salt;Sodium phenylmercaptide;Sodium thiophenate;Sodium phenylsulfide;Sodium thiophenylate;Sodium phenylthiolate;Thiophenyl sodium salt;24339-77-3;50729-67-4;89598-95-8;1948274-64-3
Categories:
Organic Chemistry > Organometallic Compounds

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Sodium thiophenolate Basic Attributes

Molecular Weight：

132.16

Exact Mass：

132.000961

EC Number：

213-224-0

UNII：

75GF5O2O8Y

DSSTox ID：

DTXSID1027342

HScode：

2930909090

Characteristics

PSA：

25.30000

XLogP3：

2.24300

Appearance：

Off-white to yellow to beige Powder

Density：

1.079g/cm3

Melting Point：

>300 °C(lit.)

Boiling Point：

169.1ºC at 760mmHg

Flash Point：

50.6ºC

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 1759 8/PG 3

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Sodium thiophenolate Use and Manufacturing

Uses

Antioxidant and corrosion inhibitor|Used as a demethylating agent in the laboratory in which bisquaternary ammonium compound extracted from tissue homogenates or body fluids into dichloromethane as an ion pair with hexanitrodiphenylamine (DPA). The evaporated ion pair residue is demethylated with sodium benzenethiolate to form the corresponding tertiary amine.|Used in the synthesis of retinol substitution analogs.|Used in synthesis of phosphorodithioate fungicides.

Manufacturing Info：

Benzenethiol, sodium salt (1:1): ACTIVE

Computed Properties

Molecular Weight:132.16
Hydrogen Bond Acceptor Count:1
Exact Mass:132.00096561
Monoisotopic Mass:132.00096561
Topological Polar Surface Area:1
Heavy Atom Count:8
Complexity:50.5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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CAS No.: 930-69-8

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CAS No.: 930-69-8

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