클로로신남알

3-(4-Chlorophenyl)prop-2-enal

HCID 5924929

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1075-77-0
표준 SMILES: O=C/C=C/c1ccc(Cl)cc1
InChIKey: HONRSHHPFBMLBT-OWOJBTEDSA-N
분자식: C9H7ClO
평균 분자량: 166.6 g/mol
단동위원소 질량: 166.0185425

이름 및 식별자

우선 이름: 3-(4-Chlorophenyl)prop-2-enal
IUPAC: (E)-3-(4-chlorophenyl)prop-2-enal
현지명: 클로로신남알
영어명: 4-Chlorocinnamaldehyde
분자식: C9H7ClO
분자량: 166.6

이름 및 동의어

49678-02-64-CHLOROCINNAMALDEHYDE1075-77-03-(4-chlorophenyl)prop-2-enalRefChem:492945663-246-3887-559-1(E)-3-(4-Chlorophenyl)acrylaldehyde3-(4-Chlorophenyl)acrylaldehyde(E)-3-(4-chlorophenyl)prop-2-enalp-ChlorocinnamaldehydeMFCD00156880

이름 더 보기

클로로신남알orocinnamaL4-CHLORO CINNAMALDEHYDE(E)-4-Chlorocinnamaldehyde4-ChlorocinnaMaldehyde 96%4- chlorocinnaMic aldehyde4-Chloro-trans-cinnamaldehyde(E)-3-(4-Chlorophenyl)propenal4-Chlorocinnamaldehyde USP/EP/BP

trans-p-Chlorocinnamaldehydetrans-4-chlorocinnamaldehyde(E)-3-(4-Chlorophenyl)-2-propenal2-Propenal, 3-(4-chlorophenyl)-, (2E)-4-Chlorocinnamaldehyde, 96%SCHEMBL431858SCHEMBL2342481HONRSHHPFBMLBT-OWOJBTEDSA-N

데이터베이스 식별자

CAS: 1075-77-0、49678-02-6
PubChem CID: 5924929
DTXSID: DTXSID401380742
EC Number: 663-246-3、887-559-1
Nikkaji: J432.421H、J953.646I

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 146

물리화학적 성질

녹는점: 57 · 57-63°C
끓는 점: 115 °C · 115 °C(Press: 2 Torr)
밀도: 1.192 · 1.192±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
물리적 상태: 니들 크리스탈
색상: 흰색에서 황백색까지
InChI: InChI=1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
InChIKey: HONRSHHPFBMLBT-OWOJBTEDSA-N
SMILES: C(=O)/C=C/C1=CC=C(Cl)C=C1

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.