Methyl 5-(chloromethyl)thiophene-3-carboxylate

HCID 12926494

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 34767-77-6
표준 SMILES: COC(=O)c1csc(CCl)c1
InChIKey: NKSDIKYUNDQYSA-UHFFFAOYSA-N
분자식: C7H7ClO2S
평균 분자량: 190.65 g/mol
단동위원소 질량: 189.98552814

이름 및 식별자

우선 이름: Methyl 5-(chloromethyl)thiophene-3-carboxylate
IUPAC: methyl 5-(chloromethyl)thiophene-3-carboxylate
영어명: methyl 5-(chloromethyl)thiophene-3-carboxylate
분자식: C7H7ClO2S
분자량: 190.65

이름 및 동의어

methyl 5-(chloromethyl)thiophene-3-carboxylate34767-77-6SCHEMBL2173402NKSDIKYUNDQYSA-UHFFFAOYSA-N3-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl esterDTXSID101188432JBA76777methyl5-(chloromethyl)thiophene-3-carboxylateEN300-343956methyl 5-(chloromethyl)-3-thiophenecarboxylatemethyl 5-(chloromethyl)-3-thiophene-carboxylate5-chloromethyl-thiophene-3-carboxylic acid methyl ester

데이터베이스 식별자

CAS: 34767-77-6
PubChem CID: 12926494
DTXSID: DTXSID101188432
EC Number: 118-318-4

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

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.