2-아미노-4-히드록시벤조티아졸

2-Amino-4-hydroxybenzothiazole

HCID 24057CAS 7471-03-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1nc2c(O)cccc2s1
InChIKey: PFQJPSASUCHKRO-UHFFFAOYSA-N
분자식: C7H6N2OS
평균 분자량: 166.2 g/mol
단동위원소 질량: 166.02008381

이름 및 식별자

우선 이름: 2-Amino-4-hydroxybenzothiazole
IUPAC: 2-amino-1,3-benzothiazol-4-ol
현지명: 2-아미노-4-히드록시벤조티아졸
영어명: 2-Amino-4-hydroxybenzothiazole
분자식: C7H6N2OS
분자량: 166.2

이름 및 동의어

2-Amino-4-hydroxybenzothiazole7471-03-62-amino-1,3-benzothiazol-4-ol4-Benzothiazolol, 2-amino-2-aminobenzothiazol-4-ol4-Hydroxy-2-aminobenzothiazoleOBI166S5VMBENZOTHIAZOLE, 2-AMINO-4-HYDROXY-UNII-OBI166S5VMNSC 403535NSC-403535BRN 0136771

이름 더 보기

2-아미노-4-히드록시벤조티아졸2-AMINO-BENZOTHIAZOL-4-OL2-amino-4-hydroxy-benzothiazol2-Amino-4-hydroxy-1,3-benzothiazole4-Benzothiazolol,2-amino-(6CI,7CI,9CI)2-Amino-1,3-benzothiazol-4-ol, 4-Hydroxy-1,3-benzothiazole-2-amine

2-AMINO-4-BENZOTHIAZOLOLDTXSID202256924-BENZOTHIAZOLOL, 2-AMINO4-27-00-05445 (Beilstein Handbook Reference)RefChem:85204DTXCID501481834-Benzothiazolol, 2-amino-(9CI)2-aminobenzo[d]thiazol-4-ol

데이터베이스 식별자

CAS: 7471-03-6
PubChem CID: 24057
DTXSID: DTXSID20225692
ChEMBL: CHEMBL1269497
UNII: OBI166S5VM
EC Number: 616-128-0
Nikkaji: J41.963J

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 87.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 179 · 179-181°C
끓는 점: 394.6 · 394.6±34.0 °C(Predicted)
밀도: 1.553 · 1.553±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 7.94 · 7.94±0.40(Predicted)
색상: White to Light yellow to Light orange
InChI: 1S/C7H6N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3,10H,(H2,8,9)
InChIKey: PFQJPSASUCHKRO-UHFFFAOYSA-N
SMILES: Nc1nc2c(O)cccc2s1

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.