2-히드록시벤조티아졸

Benzothiazolone

HCID 13625CAS 934-34-9

기본 정보

표준 SMILES
O=c1[nH]c2ccccc2s1
InChIKey
YEDUAINPPJYDJZ-UHFFFAOYSA-N
분자식
C7H5NOS
평균 분자량
151.19 g/mol
단동위원소 질량
151.00918478

개요

2-hydroxybenzothiazole is benzothiazole substituted with a hydroxy group at the 2-position.

이름 및 식별자

우선 이름
Benzothiazolone
IUPAC
3H-1,3-benzothiazol-2-one
현지명
2-히드록시벤조티아졸
영어명
2-Benzothiazolol
분자식
C7H5NOS
분자량
151.19

이름 및 동의어

Benzothiazolone934-34-92-HYDROXYBENZOTHIAZOLE2(3H)-Benzothiazolone1,3-Benzothiazol-2-ol2-Benzothiazolinone3H-1,3-benzothiazol-2-one2-oxobenzothiazole7T26K7NG46NSC 7706UNII-7T26K7NG46DTXSID6061315
이름 더 보기
2-하이드록시벤조티아졸2-히드록시벤조티아졸2-벤조티아졸롤Benzo[d]thiazol-2(3H)-onebenzo[d]thiazol-2-ol2-Benzothiazolone2,3-dihydro-1,3-benzothiazol-2-oneHYDROXYBENZOTHIAZOLE2-Hydroxybenzothiazole, HPLC 97%
CHEBI:1151963H-benzothiazole-2-oneNSC-7706EINECS 213-281-1Benzothiazol, 2-hydroxy-NSC 26422NSC 33823NSC-26422

데이터베이스 식별자

CAS
934-34-9
PubChem CID
13625
DTXSID
DTXSID6061315
ChEMBL
CHEMBL276936
ChEBI
CHEBI:115196
UNII
7T26K7NG46
EC Number
213-281-1
Nikkaji
J24.621B

물성

구조 계산 물성

XLogP
1.8
극성 표면적
54.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

PolymersRubber
LogP1.76
Collision Cross Section · 2건

123.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6061315]

123.75 Ų [M-H]-

물리화학적 성질

녹는점
137 · 137-140 °C (lit.)
끓는 점
360 °C · 360°C (rough estimate)
밀도
1.217 · 1.2170 (rough estimate)
굴절률
1.55 · 1.5500 (estimate)
저장 조건
Keep in dark place,Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨, 초음파 처리), DMSO(약간 용해됨)

화학적 성질

off-white to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 43.5% (37 of 85) of reports.

Warning

H302 (51.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: 2(3H)-Benzothiazolone
Hazard Classes and CategoriesAcute Tox. 4 (51.8%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29061990
risk_code
20/21/22
hazard_code
Xn
safety_code
36

화학 및 산업

용도 및 제조

General Manufacturing Information2(3H)-Benzothiazolone: ACTIVE
응용 분야 · 2건

용도2-Hydroxybenzothiazole may be employed as carbon, nitrogen and energy supplement in the bacterial cultures. It may be used in the preparation of insulating thin polymer (<0.1μm), via electropolymerization.

일반 설명2-Hydroxybenzothiazole (2-OHBT) is a 2-substituted benzothiazole. It is a tautomer of 2-benzothiazolinone. Its enthalpy of formation in the gas phase has been determined using high-level ab initio molecular orbital calculations at the G3(MP2)//B3LYP level of theory. Polarized IR spectra of the hydrogen-bonded molecular crystals of 2-OHBT have been studied. Oxidation of 2-OHBT using H2O2/UV and iron(III) photoassisted Fenton techniques have been reported. 2-OHBT is released into wastewaters during the industrial production of 2-mercaptobenzothiazole, a rubber vulcanization accelerator. The anodic oxidation of 2-OHBT on copper, iron and platinum in alcohol and alcohol-water solutions by cyclic polarization and chronoamperometry has been reported.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]

추가 설명

정의ChEBI: Benzothiazole substituted with a hydroxy group at the 2-position.

관련 반응

17건

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