2-메틸-1,3-벤조티아졸-6-OL

2-Methyl-1,3-benzothiazol-6-ol

HCID 759304CAS 68867-18-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc2ccc(O)cc2s1
InChIKey: ROFBPPIQUBJMRO-UHFFFAOYSA-N
분자식: C8H7NOS
평균 분자량: 165.21 g/mol
단동위원소 질량: 165.02483502

이름 및 식별자

우선 이름: 2-Methyl-1,3-benzothiazol-6-ol
IUPAC: 2-methyl-1,3-benzothiazol-6-ol
현지명: 2-메틸-1,3-벤조티아졸-6-OL
영어명: 2-Methyl-1,3-benzothiazol-6-ol
분자식: C8H7NOS
분자량: 165.21

이름 및 동의어

68867-18-52-Methyl-1,3-benzothiazol-6-olDTXSID90353931RefChem:474762DTXCID00304994685-681-82-methylbenzo[d]thiazol-6-ol2-Methyl-6-benzothiazolol2-methylbenzothiazol-6-olMFCD002272346-benzothiazolol, 2-methyl-6-Hydroxy-2-methylbenzothiazole

이름 더 보기

2-메틸-1,3-벤조티아졸-6-OL2-Methylbenzothiazol-6-ol,96%2-Methylbenzothiazol-6-ol, 96%6-Hydroxy-2-methylbenzothiazole 97%6-Benzothiazolol,2-methyl-(6CI,7CI,9CI)

2-Methyl-benzothiazol-6-olSCHEMBL906835orb3029778SCHEMBL12188242-methyl-6-hydroxybenzothiazoleCHEMBL45331876-Hydroxy-2-methyl-benzothiazoleROFBPPIQUBJMRO-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 68867-18-5
PubChem CID: 759304
DTXSID: DTXSID90353931
ChEMBL: CHEMBL4533187
EC Number: 685-681-8
Nikkaji: J741.164B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 61.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 153

물리화학적 성질

녹는점: 159 · 159-161℃
끓는 점: 28 °C · 28 °C(Press: 3 Torr)
밀도: 1.365 · 1.365±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 8.68 · 8.68±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.