7-(클로로술포닐)-2,3-디히드로-1,4-벤조디옥신-5-카르복실산

7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid

HCID 6455316

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 66410-36-4
표준 SMILES: O=C(O)c1cc(S(=O)(=O)Cl)cc2c1OCCO2
InChIKey: NCSFGFOXYGSSSH-UHFFFAOYSA-N
분자식: C9H7ClO6S
평균 분자량: 278.67 g/mol
단동위원소 질량: 277.96518662

이름 및 식별자

우선 이름: 7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid
IUPAC: 7-chlorosulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
현지명: 7-(클로로술포닐)-2,3-디히드로-1,4-벤조디옥신-5-카르복실산
영어명: 7-(chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid
분자식: C9H7ClO6S
분자량: 278.67

이름 및 동의어

66410-36-47-(chlorosulfonyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid7-(Chlorosulphonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acidBZM6SPD7SV7-chlorosulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid7-(Chlorosulfonyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acidEINECS 266-345-6UNII-BZM6SPD7SVSCHEMBL11062680DTXSID70216631RCA41036AKOS000126827

이름 더 보기

7-(클로로술포닐)-2,3-디히드로-1,4-벤조디옥신-5-카르복실산7-Chlorosulfonyl-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid1,4-Benzodioxin-5-carboxylic acid, 7-(chlorosulfonyl)-2,3-dihydro-

CS-0250953NS00036029EN300-52915G450747-chlorosulfonyl-1,4-benzodioxane-5-carboxylic acid7-chlorosulfonyl-1,4- benzodioxane-5-carboxylic acidZ3161186367-(chlorosulfonyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylicacid

데이터베이스 식별자

CAS: 66410-36-4
PubChem CID: 6455316
DTXSID: DTXSID70216631
UNII: BZM6SPD7SV
EC Number: 266-345-6
Nikkaji: J286.780J

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 98.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 402

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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