3-클로로-4-(메틸포닐)티오펜-2-카보닐염화물

3-Chloro-4-(Methylsulfonyl)Thiophene-2-Carbonyl Chloride

HCID 2735775

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 175201-87-3
표준 SMILES: CS(=O)(=O)c1csc(C(=O)Cl)c1Cl
InChIKey: XXPNDZHWWJGGSX-UHFFFAOYSA-N
분자식: C6H4Cl2O3S2
평균 분자량: 259.1 g/mol
단동위원소 질량: 257.8978917

이름 및 식별자

우선 이름: 3-Chloro-4-(Methylsulfonyl)Thiophene-2-Carbonyl Chloride
IUPAC: 3-chloro-4-methylsulfonylthiophene-2-carbonyl chloride
현지명: 3-클로로-4-(메틸포닐)티오펜-2-카보닐염화물
영어명: 3-CHLORO-4-(METHYLSULFONYL)THIOPHENE-2-CARBONYL CHLORIDE
분자식: C6H4Cl2O3S2
분자량: 259.13

이름 및 동의어

175201-87-33-Chloro-4-(Methylsulfonyl)Thiophene-2-Carbonyl ChlorideDTXSID40370936RefChem:278273DTXCID103219703-chloro-4-methylsulfonylthiophene-2-carbonyl chlorideMFCD001743003-chloro-4-methanesulfonylthiophene-2-carbonyl chloride3-chloro-4-(methylsulphonyl)thiophene-2-carbonyl chlorideXXPNDZHWWJGGSX-UHFFFAOYSA-NC6H4Cl2O3S2SCHEMBL1279064

이름 더 보기

3-클로로-4-(메틸포닐)티오펜-2-카보닐염화물BUTTPARK 36\04-413-Chloro-4-(methylsulfonyl)thiophene-2-carbonyl3-chloro-4-methylsulfonyl-2-thiophenecarbonyl chloride3-Choro-4-(methylsufonyl)thiophene-2-carbonyl chloride3-Chloro-4-(methylsufonyl)thiophene-2-carbonyl chloride2-Thiophenecarbonyl chloride, 3-chloro-4-(methylsulfonyl)-4-Chloro-5-(chlorocarbonyl)thien-3-yl methyl sulphone, 3-Chloro-2-(chlorocarbonyl)-4-(methylsulphonyl)thiophene

3-chloro-4-methylsulfonyl-thiophene-2-carbonyl ChlorideSBB102139AKOS015912384AS-9711DB-044073F0175143-chloro-4-(methylsulfonyl)thiophene-2-carbonylchloride3-chloro-4-(methylsulphonyl)thiophene-2-carbonylchloride

데이터베이스 식별자

CAS: 175201-87-3
PubChem CID: 2735775
DTXSID: DTXSID40370936
EC Number: 672-999-7

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 87.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 308

물리화학적 성질

녹는점: 181 · 181-184°C
끓는 점: 444.2 · 444.2±45.0 °C(Predicted)
밀도: 1.629 · 1.629±0.06 g/cm3(Predicted)
물리적 상태: solid
InChI: 1S/C6H4Cl2O3S2/c1-13(10,11)3-2-12-5(4(3)7)6(8)9/h2H,1H3
InChIKey: XXPNDZHWWJGGSX-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

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

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