CAS 930-69-8 Sodium benzenethiolate (HCID 4110039)

基本情報

CAS: 930-69-8
標準SMILES: [Na+].[S-]c1ccccc1
InChIKey: RZWQDAUIUBVCDD-UHFFFAOYSA-M
分子式: C6H5NaS
平均分子量: 132.16 g/mol
単同位体質量: 132.00096561

名称と識別子

優先名称: Sodium benzenethiolate
IUPAC: sodium benzenethiolate

名称と別名

SODIUM BENZENETHIOLATE930-69-8Sodium thiophenoxideSodium phenylthiolateBenzenethiol, sodium saltSodium thiophenylateSodium phenylsulfideSodium phenylmercaptideThiophenyl sodium saltDTXSID1027342UNII-75GF5O2O8Y75GF5O2O8Y

名称をさらに表示

HSDB 5771Benzenethiol, sodium salt (1:1)EINECS 213-224-0DTXCID307342SODIUM BENZENETHIOLATE [HSDB]RefChem:183794213-224-0SODIUM THIOPHENATE

データベース識別子

CAS: 930-69-8
PubChem CID: 4110039
DTXSID: DTXSID1027342
ChEMBL: CHEMBL3182565
UNII: 75GF5O2O8Y
EC Number: 213-224-0
Nikkaji: J28.470J

物性

構造計算による物性

極性表面積: 1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 50

実験および物理化学的性質

Physical DescriptionFaintly beige solid with a stench; [MSDSonline]

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis and pulmonary edema; [Aldrich MSDS] See Benzenethiol.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

毒性情報

Adverse EffectsOther Poison - Chemical Asphyxiant；Dermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

化学と産業

用途と製造

Uses · 5 件

Used as antioxidant, corrosion inhibitor, laboratory demethylating agent, and to make retinol substitution analogs and phosphorodithioate fungicides; [HSDB]

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.

General Manufacturing InformationBenzenethiol, sodium salt (1:1): ACTIVE