기본 정보
- CAS
84392-23-4- 표준 SMILES
O=Cc1ccccc1-c1ccc(C(F)(F)F)cc1- InChIKey
UUSBTGUDEHRZTF-UHFFFAOYSA-N- 분자식
- C14H9F3O
- 평균 분자량
- 250.21 g/mol
- 단동위원소 질량
- 250.06054939
이름 및 식별자
- 우선 이름
- 2-[4-(Trifluoromethyl)phenyl]benzaldehyde
- IUPAC
- 2-[4-(trifluoromethyl)phenyl]benzaldehyde
- 현지명
- 2-[4-(트리플루오로메틸)페닐]벤잘데하이드
- 영어명
- 2-[4-(Trifluoromethyl)phenyl]benzaldehyde
- 분자식
- C14H9F3O
- 분자량
- 250.22
이름 및 동의어
84392-23-42-[4-(trifluoromethyl)phenyl]benzaldehyde4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbaldehyde4'-trifluoromethylbiphenyl-2-carbaldehyde4'-(Trifluoromethyl)biphenyl-2-carbaldehydeMFCD016318554'-(trifluoromethyl)[1,1'-biphenyl]-2-carbaldehyde4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxaldehyde4'-Trifluoromethyl-biphenyl-2-carbaldehydeAKOS BAR-0246SCHEMBL416843SCHEMBL4200280
이름 더 보기
2-[4-(트리플루오로메틸)페닐]벤잘데하이드4'-(TRIFLUOROMETHYL)-2-BIPHENYLCARBOXALDEHYDE[1,1'-Biphenyl]-2-carboxaldehyde, 4'-(trifluoromethyl)-4′-Trifluoromethyl-biphenyl-2-carbaldehyde, CAS 84392-23-4
DTXSID10382228AR1232SBB100726AKOS0041139694'-Trifluoromethyl-2-biphenylcarbaldehydeAS-450624'-trifluoromethyl-2-biphenylcarboxaldehydeDB-008429
데이터베이스 식별자
- CAS
84392-23-4- PubChem CID
- 2782710
- DTXSID
DTXSID10382228- EC Number
- 673-280-0
- Nikkaji
- J896.848I
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 279
물리화학적 성질
- 끓는 점
- 324.6 · 324.6±42.0 °C(Predicted)
- 밀도
- 1.273 g/mL · 1.273 g/mL at 25 °C
- 굴절률
- 20 · n20/D1.552
- 인화점
- 121 ℃ · >121℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- liquid
- InChI
- 1S/C14H9F3O/c15-14(16,17)12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-18/h1-9H
- InChIKey
- UUSBTGUDEHRZTF-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccc(cc1)-c2ccccc2C=O
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3082 9 / PGIII
- HS 번호
- 2913000090
- risk_code
- 36/37/38-51/53-22
- hazard_code
- Xi,N,Xn
- safety_code
- 26-36/37/39-61
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
응용 분야
용도2-[4-(Trifluoromethyl)Phenyl]Benzaldehyde is a useful reactant for organic reactions.
공급사17 곳
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