4-Chloro-1-(2-thienyl)butan-1-one

HCID 123511

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 43076-59-1
표준 SMILES: O=C(CCCCl)c1cccs1
InChIKey: NPFQPHILVMHTKP-UHFFFAOYSA-N
분자식: C8H9ClOS
평균 분자량: 188.67 g/mol
단동위원소 질량: 188.00626359

이름 및 식별자

우선 이름: 4-Chloro-1-(2-thienyl)butan-1-one
IUPAC: 4-chloro-1-thiophen-2-ylbutan-1-one
영어명: gamma-Chloro-2-butyrothienone
분자식: C8H9ClOS
분자량: 188.67

이름 및 동의어

43076-59-14-Chloro-1-(2-thienyl)butan-1-one4-Chloro-1-(2-thienyl)-1-butanone1-Butanone, 4-chloro-1-(2-thienyl)-EINECS 256-076-2DTXSID10195678RefChem:520736DTXCID50118169256-076-2InChI=1/C8H9ClOS/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3,5H4-chloro-1-(thiophen-2-yl)butan-1-onegamma-Chloro-2-butyrothienone

이름 더 보기

4-CHLOROBUTYROTHIENONEγ-chloro-2-butyrothienoneG-CHLORO-2-BUTYROTHIENONE2-(4-Chlorobutanoyl)thiophene4-CHLORO-2'-BUTYROTHIENONE 97%4-CHLORO-1-(2-THIENYL)BUTANONE4-Chloro-2'-butyrothienone,97%^y-Chloro-2-butyrothienone, 97%

4-chloro-1-thiophen-2-ylbutan-1-oneMFCD00005447.gamma.-Chloro-2-butyrothienone4-Chloro-2'-butyrothienone3-CHLOROPROPYL 2-THIENYL KETONE4-Chloro-2'-butyrothienone, 97%4-chloro-1-thiophen-2-yl-butan-1-one4-Chlorobutyrothiophene

데이터베이스 식별자

CAS: 43076-59-1
PubChem CID: 123511
DTXSID: DTXSID10195678
EC Number: 256-076-2
Nikkaji: J267.322C

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

물리화학적 성질

끓는 점: 144 · 144-146°C 9mm
밀도: 1.663 g/mL · 1.663 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.565(lit.)
인화점: 230 °F · >230 °F
저장 조건: 0 · 0-6°C
Specific Gravity: 1.163 · 1.163
BRN: 508882 · 508882

화학적 성질

clear gold to dark coloured liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.