Sodium benzenethiolate

HCID 4110039

노트 반응

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기본 정보

CAS: 930-69-8
표준 SMILES: [Na+].[S-]c1ccccc1
InChIKey: RZWQDAUIUBVCDD-UHFFFAOYSA-M
분자식: C6H5NaS
평균 분자량: 132.16 g/mol
단동위원소 질량: 132.00096561

이름 및 식별자

우선 이름: Sodium benzenethiolate
IUPAC: sodium benzenethiolate

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 50

실험 및 물리화학적 성질

Physical DescriptionFaintly beige solid with a stench; [MSDSonline]

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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%)

독성 정보

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.

화학 및 산업

용도 및 제조

Uses · 5건

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