5-[3-(트리플루오로메틸)페닐]푸르푸랄

5-(3-(Trifluoromethyl)phenyl)furfural

HCID 721837CAS 52130-30-0

기본 정보

표준 SMILES
O=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIKey
MRVWKXZQBOFMAW-UHFFFAOYSA-N
분자식
C12H7F3O2
평균 분자량
240.18 g/mol
단동위원소 질량
240.03981395

이름 및 식별자

우선 이름
5-(3-(Trifluoromethyl)phenyl)furfural
IUPAC
5-[3-(trifluoromethyl)phenyl]furan-2-carbaldehyde
현지명
5-[3-(트리플루오로메틸)페닐]푸르푸랄
영어명
5-(3-TRIFLUOROMETHYL-PHENYL)-FURAN-2-CARBALDEHYDE
분자식
C12H7F3O2
분자량
240.18

이름 및 동의어

5-[3-(Trifluoromethyl)phenyl]furfural5-(3-(Trifluoromethyl)phenyl)furfuralRefChem:529751624-236-452130-30-05-[3-(trifluoromethyl)phenyl]-2-furaldehyde5-[3-(trifluoromethyl)phenyl]furan-2-carbaldehyde5-(3-(trifluoromethyl)phenyl)furan-2-carbaldehydeMFCD002742415-(3-trifluoromethyl-phenyl)-furan-2-carbaldehyde2-Furancarboxaldehyde, 5-[3-(trifluoromethyl)phenyl]-5-(3-trifluoromethylphenyl)furan-2-carboxaldehyde
이름 더 보기
5-[3-(트리플루오로메틸)페닐]푸르푸랄AKOS BAR-0571ASISCHEM N16488TIMTEC-BB SBB0073617-Methyl-1,10-phenanthroline5-[3-(Trifluoromethyl)phenyl]furfural 97%5-(3-(TRIFLUOROMETHYL)PHENYL)FURFURAL, 9 7%
5-[3-(Trifluoromethyl)phenyl]furan-2-carboxaldehydeorb3022548SCHEMBL1199113SCHEMBL2323764CHEMBL4444798DTXSID80352256TPL0524ALBB-024942

데이터베이스 식별자

CAS
52130-30-0
PubChem CID
721837
DTXSID
DTXSID80352256
ChEMBL
CHEMBL4444798
EC Number
624-236-4
Nikkaji
J1.553.908I

물성

구조 계산 물성

XLogP
3.3
극성 표면적
30.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
17

물리화학적 성질

녹는점
64 · 64-66 °C(lit.)
끓는 점
326.2 · 326.2±42.0 °C(Predicted)
밀도
1.314 · 1.314±0.06 g/cm3(Predicted)
InChI
1S/C12H7F3O2/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7H
InChIKey
MRVWKXZQBOFMAW-UHFFFAOYSA-N
SMILES
FC(F)(F)c1cccc(c1)-c2ccc(C=O)o2

안전 및 규제

안전 데이터

wgk
3
HS 번호
2932190090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
위험 등급
IRRITANT

화학 및 산업

공급사28 곳

河北凡博医药科技有限公司15588346797
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

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