6-벤조티아졸카르복실산,2,3-디히드로-2-옥소-(9CI)

2-Hydroxy-1,3-benzothiazole-6-carboxylic acid

HCID 14116709

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 99615-68-6
표준 SMILES: O=C(O)c1ccc2[nH]c(=O)sc2c1
InChIKey: USZSGINUZRHINQ-UHFFFAOYSA-N
분자식: C8H5NO3S
평균 분자량: 195.2 g/mol
단동위원소 질량: 194.9990142

이름 및 식별자

우선 이름: 2-Hydroxy-1,3-benzothiazole-6-carboxylic acid
IUPAC: 2-oxo-3H-1,3-benzothiazole-6-carboxylic acid
현지명: 6-벤조티아졸카르복실산,2,3-디히드로-2-옥소-(9CI)
영어명: 6-Benzothiazolecarboxylicacid,2,3-dihydro-2-oxo-(9CI)
분자식: C8H5NO3S
분자량: 195.2

이름 및 동의어

2-Hydroxy-1,3-benzothiazole-6-carboxylic acidRefChem:473000867-899-799615-68-62-Hydroxybenzo[d]thiazole-6-carboxylic acid2-OXO-3H-1,3-BENZOTHIAZOLE-6-CARBOXYLIC ACID6-Benzothiazolecarboxylic acid,2,3-dihydro-2-oxoMFCD084440182-oxo-2,3-dihydro-1,3-benzothiazole-6-carboxylic acid2-Oxo-2,3-dihydrobenzothiazole-6-carboxylic acidSCHEMBL118321SCHEMBL18984451

이름 더 보기

6-벤조티아졸카르복실산,2,3-디히드로-2-옥소-(9CI)6-Benzothiazolecarboxylicacid,2,3-dihydro-2-oxo-2,3-Dihydro-2-oxo-6-benzothiazolecarboxylic acid2-Oxo-2,3-dihydro-benzothiazole-6-carboxylic acid2,3-dihydro-2-oxo-benzothiazole-6-carboxylic acid2,3-dihydro-2-oxo-6-Benzothiazole carbocylic acid2-Oxo-2,3-dihydrobenzo[d]thiazole-6-carboxylic acid6-Benzothiazolecarboxylicacid,2,3-dihydro-2-oxo-(9CI)

DTXSID50556123USZSGINUZRHINQ-UHFFFAOYSA-NAC9408SBB091851AKOS005072179AKOS015893982DA-09262-hydroxybenzothiazole-6-carboxylic acid

데이터베이스 식별자

CAS: 99615-68-6
PubChem CID: 14116709
DTXSID: DTXSID50556123
EC Number: 867-899-7
Nikkaji: J1.276.244E

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 91.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 256

물리화학적 성질

녹는점: 300 ℃ · >300℃
밀도: 1.586 · 1.586±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.9 · 3.90±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 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.