4-Chloro-4'-isopropylbutyrophenone

HCID 98744CAS 70289-38-2

기본 정보

표준 SMILES: CC(C)c1ccc(C(=O)CCCCl)cc1
InChIKey: BGOQEVLEIPPQID-UHFFFAOYSA-N
분자식: C13H17ClO
평균 분자량: 224.72 g/mol
단동위원소 질량: 224.0967929

이름 및 식별자

우선 이름: 4-Chloro-4'-isopropylbutyrophenone
IUPAC: 4-chloro-1-(4-propan-2-ylphenyl)butan-1-one
영어명: 4-Chloro-1-[4-(1-methylethyl)phenyl]-1-butanone
분자식: C13H17ClO
분자량: 224.73

이름 및 동의어

70289-38-24-Chloro-4'-isopropylbutyrophenone4-CHLORO-1-[4-(1-METHYLETHYL)PHENYL]-1-BUTANONESZY13PY3ZIEINECS 274-544-4NSC-163136DTXSID40220543NSC 1631363-CHLOROPROPYL 4-ISOPROPYLPHENYL KETONE1-BUTANONE, 4-CHLORO-1-(4-(1-METHYLETHYL)PHENYL)-4-Chloro-1-(4-(1-methylethyl)phenyl)-1-butanone1-Butanone, 4-chloro-1-[4-(1-methylethyl)phenyl]-

이름 더 보기

γ-Chloro-p-isopropylbutyrophenone4-Chloro-4'-isopropyl-butyrophenone(Fexofenadine Int.)

RefChem:521394DTXCID70143034274-544-44-chloro-1-(4-isopropylphenyl)butan-1-one4-chloro-1-(4-propan-2-ylphenyl)butan-1-oneMFCD000189984-chloro-1-(4-isopropylphenyl)-1-butanone4-chloro-1-[4-(propan-2-yl)phenyl]butan-1-one

데이터베이스 식별자

CAS: 70289-38-2
PubChem CID: 98744
DTXSID: DTXSID40220543
UNII: SZY13PY3ZI
EC Number: 274-544-4
Nikkaji: J288.917J

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 193

물리화학적 성질

끓는 점: 337.9 · 337.9±25.0 °C(Predicted)
밀도: 1.043 · 1.043±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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.