4-Cyano-3-methylbenzenesulfonyl chloride

HCID 55280150

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 942199-57-7
표준 SMILES: Cc1cc(S(=O)(=O)Cl)ccc1C#N
InChIKey: JGIAWVZWYDFMBJ-UHFFFAOYSA-N
분자식: C8H6ClNO2S
평균 분자량: 215.66 g/mol
단동위원소 질량: 214.9807773

이름 및 식별자

우선 이름: 4-Cyano-3-methylbenzenesulfonyl chloride
IUPAC: 4-cyano-3-methylbenzenesulfonyl chloride
영어명: 4-cyano-3-methylbenzene-1-sulfonyl chloride
분자식: C8H6ClNO2S
분자량: 215.66

이름 및 동의어

4-cyano-3-methylbenzene-1-sulfonyl chloride942199-57-74-cyano-3-methylbenzenesulfonyl chlorideDTXSID301277302RefChem:522217DTXCID601707823893-035-34-Cyano-3-methyl-benzenesulfonyl chlorideSCHEMBL1941568SCHEMBL30033471JGIAWVZWYDFMBJ-UHFFFAOYSA-NSMB19957

이름 더 보기

Benzenesulfonyl chloride, 4-cyano-3-methyl-

GS3202MFCD18394322AKOS0063354244-cyano-3-methylbenzene-1-sulfonylchlorideEN300-182231G54158

데이터베이스 식별자

CAS: 942199-57-7
PubChem CID: 55280150
DTXSID: DTXSID301277302
EC Number: 893-035-3

물성

구조 계산 물성

XLogP: 2
극성 표면적: 66.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 324

물리화학적 성질

녹는점: 52.5 · 52.5-53.0 °C
끓는 점: 356 · 356.0±35.0 °C(Predicted)
밀도: 1.46 · 1.46±0.1 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, 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.