1-HYDROXY-6-(METHYLSULFONYL)인돌

1-Hydroxy-6-methylsulfonylindole

HCID 703538
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기본 정보

CAS
170492-47-4
표준 SMILES
CS(=O)(=O)c1ccc2ccn(O)c2c1
InChIKey
DSXUTUMPWBBNSD-UHFFFAOYSA-N
분자식
C9H9NO3S
평균 분자량
211.24 g/mol
단동위원소 질량
211.03031432

이름 및 식별자

우선 이름
1-Hydroxy-6-methylsulfonylindole
IUPAC
1-hydroxy-6-methylsulfonylindole
현지명
1-HYDROXY-6-(METHYLSULFONYL)인돌
영어명
1-Hydroxy-6-(methylsulfonyl)indole
분자식
C9H9NO3S
분자량
211.24

이름 및 동의어

170492-47-41-hydroxy-6-methylsulfonylindoleDTXSID40351563RefChem:230894DTXCID703026296-(Methylsulfonyl)-1H-indol-1-ol1-Hydroxy-6-(methylsulfonyl)indole6-methanesulfonyl-1H-indol-1-olMFCD002164826-(methylsulfonyl)indol-1-ol1-Hydroxy-6-(methylsulphonyl)-1H-indole1-hydroxy-6-methylsulphonylindole
이름 더 보기
1-HYDROXY-6-(METHYLSULFONYL)인돌LABOTEST-BB LT004412861-Hydroxy-6-methylsulphonylindole,95%1-Hydroxy-6-(methylsulfonyl)-1H-indole1H-Indole, 1-hydroxy-6-(methylsulfonyl)-1-Hydroxy-6-(methylsulphonyl)-1H-indole 95+%
Oprea1_4939086-Methanesulfonyl-indol-1-olSCHEMBL2212769CHEMBL4520175DSXUTUMPWBBNSD-UHFFFAOYSA-NHMS1667C141-hydroxy-6-(methylsulphonyl)indole6-(Methanesulfonyl)-1H-indol-1-ol

데이터베이스 식별자

CAS
170492-47-4
PubChem CID
703538
DTXSID
DTXSID40351563
ChEMBL
CHEMBL4520175
EC Number
674-200-7
Nikkaji
J2.276.759C

물성

구조 계산 물성

XLogP
1.3
극성 표면적
67.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
14

물리화학적 성질

녹는점
174 · 174-176 °C
끓는 점
513.8 · 513.8±56.0 °C(Predicted)
밀도
1.3599 · 1.3599 (rough estimate)
굴절률
1.527 · 1.5270 (estimate)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
12.55 · 12.55±0.58(Predicted)

화학적 성질

light yellow to light brown powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호
2933998090
risk_code
36
hazard_code
Xi
safety_code
24/25-26
위험 참고 사항
Irritant

화학 및 산업

상·하류 제품 정보

공급사12 곳

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]

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