3-(Chloromethyl)-2,5-dimethylthiophene

HCID 12875261CAS 766-58-5

기본 정보

표준 SMILES: Cc1cc(CCl)c(C)s1
InChIKey: KTESLEPUDPKBQS-UHFFFAOYSA-N
분자식: C7H9ClS
평균 분자량: 160.66 g/mol
단동위원소 질량: 160.01134897

이름 및 식별자

우선 이름: 3-(Chloromethyl)-2,5-dimethylthiophene
IUPAC: 3-(chloromethyl)-2,5-dimethylthiophene
영어명: 3-(chloromethyl)-2,5-dimethylthiophene
분자식: C7H9ClS
분자량: 160.66436

이름 및 동의어

3-(chloromethyl)-2,5-dimethylthiophene766-58-5RefChem:92580820-839-3SCHEMBL6934890SCHEMBL7999187KTESLEPUDPKBQS-UHFFFAOYSA-NDTXSID801296618AAA766582,5-dimethyl-3-chloromethylthiophene3-chloromethyl-2,5-dimethylthiopheneAKOS009247271

이름 더 보기

3-Chlormethyl-2,5-dimethyl-thiophen

AT17067EN300-55414

데이터베이스 식별자

CAS: 766-58-5
PubChem CID: 12875261
DTXSID: DTXSID801296618
EC Number: 820-839-3

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 28.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, 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.