1-메틸-1H-인돌-4-설포닐클로라이드

1-methyl-1H-indole-4-sulfonyl chloride

HCID 18525782CAS 876316-36-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cn1ccc2c(S(=O)(=O)Cl)cccc21
InChIKey: HFWFOJFQXZBLAU-UHFFFAOYSA-N
분자식: C9H8ClNO2S
평균 분자량: 229.68 g/mol
단동위원소 질량: 228.9964274

이름 및 식별자

우선 이름: 1-methyl-1H-indole-4-sulfonyl chloride
IUPAC: 1-methylindole-4-sulfonyl chloride
현지명: 1-메틸-1H-인돌-4-설포닐클로라이드
영어명: 1-Methyl-1H-indole-4-sulfonyl chloride
분자식: C9H8ClNO2S
분자량: 229.68

이름 및 동의어

1-Methyl-1H-indole-4-sulfonyl chloride876316-36-8DTXSID80594538RefChem:231509DTXCID60545301690-007-01-methylindole-4-sulfonyl chloride1H-Indole-4-sulfonylchloride, 1-methyl-1-Methyl-1H-indole-4-sulphonyl chlorideMFCD086902601-methyl-1h-indole-4-sulfonylchlorideSCHEMBL791339

이름 더 보기

1-메틸-1H-인돌-4-설포닐클로라이드4-(Chlorosulphonyl)-1-methyl-1H-indole1H-Indole-4-sulfonyl chloride, 1-methyl-1-Methyl-1H-indole-4-sulphonylchloride97%1-Methyl-1H-indole-4-sulphonyl chloride 97%

HFWFOJFQXZBLAU-UHFFFAOHFWFOJFQXZBLAU-UHFFFAOYSA-Nchloro(1-methylindol-4-yl)sulfoneBKB31636SBB055044AKOS007930899BS-53109SY342714

데이터베이스 식별자

CAS: 876316-36-8
PubChem CID: 18525782
DTXSID: DTXSID80594538
EC Number: 690-007-0

물성

구조 계산 물성

XLogP: 2
극성 표면적: 47.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 311

물리화학적 성질

녹는점: 94 °C · 94 °C
끓는 점: 382.9 · 382.9±15.0 °C(Predicted)
밀도: 1.43 · 1.43±0.1 g/cm3(Predicted)
물리적 상태: 결정성 분말
색상: 갈색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, 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.