2-Amino-4-chlorobenzenethiol (HCID 12000)

개요

for determination of molybdenum in biological materials

이름 및 식별자

우선 이름: 2-Amino-4-chlorobenzenethiol
IUPAC: 2-amino-4-chlorobenzenethiol
영어명: 2-Amino-4-chlorothiophenol
분자식: C6H6ClNS
분자량: 159.64

이름 및 동의어

2-Amino-4-chlorobenzenethiol1004-00-8DTXSID00143244RefChem:85193DTXCID40657352-Amino-4-chlorothiophenol2-amino-4-chlorobenzene-1-thiolBenzenethiol, 2-amino-4-chloro-2-amino-4-chloro-benzenethiolMFCD007925282-Amino-4-chlorobenzenethiol (>85%)NSC6957

이름 더 보기

BUTTPARK 35\10-172-AMINO-4-CHLOROTHIO2-Amino-4-Chloro Thiphenol2-amino-4-chloro thoiphenol4-Chloro-2-Aminothio-Phenol2-Ammino-4-chlorobenzenethiol

5-Chloro-2-mercaptoaniline4-Chloro-2-aminothiophenol4-Chloro-2-aminobenzenethiol4-chloro-o-aminothiophenol2-Amino-4-chloro thiophenol5-Chloro-2-mercaptoaniline-SCHEMBL485284Aniline, 5-chloro-2-mercapto-

데이터베이스 식별자

CAS: 1004-00-8
PubChem CID: 12000
DTXSID: DTXSID00143244
EC Number: 628-965-9
Nikkaji: J28.465C

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 27 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

녹는점: 56 · 56-61 °C (lit.)
끓는 점: 100 °C · 100 °C(Press: 1 Torr)
밀도: 1.372 · 1.372±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
수용성: 물에 거의 녹지 않음
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to crystaline
산도 계수 (pKa): 7.35 · 7.35±0.11(Predicted)
색상: White to Light yellow to Green
안정성: 공기 민감성, 빛 민감성
InChI: 1S/C6H6ClNS/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKey: NGIRMPARLVGMPX-UHFFFAOYSA-N
SMILES: Nc1cc(Cl)ccc1S

화학적 성질

Yellow crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (12.8%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 3
HS 번호: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant/Stench
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도2-Amino-4-chlorobenzenethiol may be used in the synthesis of:2,3-dihydro-1,5-benzothiazepin-4-(5H)-ones8-chloro-1-azaphenothiazine5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3,2-benzothiazaphosphole 2-sulfide

일반 설명2-Amino-4-chlorobenzenethiol reacts with aromatic aldehydes and cyclohexanecarboxaldehyde to afford the corresponding thiazole and thiazoline derivatives. It undergoes oxidation in the presence of 1-n-butyl-3-methylimidazolium methylselenite, [bmim][SeO2(OCH3)] to form the corresponding symmetrical disulfide.