CAS 13599-84-3 6-Hydroxybenzothiazole (HCID 151811)

기본 정보

CAS: 13599-84-3
표준 SMILES: Oc1ccc2ncsc2c1
InChIKey: ORIIXCOYEOIFSN-UHFFFAOYSA-N
분자식: C7H5NOS
평균 분자량: 151.19 g/mol
단동위원소 질량: 151.00918496

이름 및 식별자

우선 이름: 6-Hydroxybenzothiazole
IUPAC: 1,3-benzothiazol-6-ol
현지명: 6-벤조티아졸롤(7CI,8CI,9CI)
영어명: 6-Benzothiazolol(7CI,8CI,9CI)
분자식: C7H5NOS
분자량: 151.19

이름 및 동의어

6-Hydroxybenzothiazole13599-84-3DTXSID50159613RefChem:543426DTXCID5082104benzo[d]thiazol-6-ol1,3-benzothiazol-6-ol6-Benzothiazololbenzothiazol-6-olMFCD000578836-Benzothiazolol(7CI,8CI,9CI)6-hydroxy-benzothiazole

이름 더 보기

6-벤조티아졸롤(7CI,8CI,9CI)6-Hydroxybenzothiazol6-Hydroxybenzothiazole>6-Benzothiazolol(7CI,8CI,9CI)

SCHEMBL23069SCHEMBL2091083SCHEMBL6601753CHEMBL4591322ORIIXCOYEOIFSN-UHFFFAOYSA-NSBB086783AKOS006275129CS-W000059

데이터베이스 식별자

CAS: 13599-84-3
PubChem CID: 151811
DTXSID: DTXSID50159613
ChEMBL: CHEMBL4591322
EC Number: 966-073-4
Nikkaji: J402.918F

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 61.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 131

물리화학적 성질

녹는점: 185 to · 185.0 to 189.0 °C
끓는 점: 311.6 · 311.6±15.0 °C(Predicted)
밀도: 1.444 · 1.444±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 8.52 · 8.52±0.40(Predicted)
색상: 흰색에서 밝은 노란색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.