기본 정보
- CAS
90035-34-0- 표준 SMILES
O=Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1- InChIKey
HIMSXOOFWOOYFK-UHFFFAOYSA-N- 분자식
- C14H9F3O
- 평균 분자량
- 250.21 g/mol
- 단동위원소 질량
- 250.06054957
이름 및 식별자
- 우선 이름
- 4'-(Trifluoromethyl)-4-biphenylcarbaldehyde
- IUPAC
- 4-[4-(trifluoromethyl)phenyl]benzaldehyde
- 현지명
- 4'-트리플루오로메틸-비펜일-4-카르발데히드
- 영어명
- 4'-Trifluoromethyl-biphenyl-4-carbaldehyde
- 분자식
- C14H9F3O
- 분자량
- 250.22
이름 및 동의어
4'-Trifluoromethylbiphenyl-4-carboxaldehyde4'-(trifluoromethyl)-4-biphenylcarbaldehydeRefChem:505951618-368-190035-34-04'-Trifluoromethyl-biphenyl-4-carbaldehyde4'-Trifluoromethylbiphenyl-4-carbaldehyde4-[4-(trifluoromethyl)phenyl]benzaldehyde4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehydeMFCD018625194'-(Trifluoromethyl)[1,1'-Biphenyl]-4-Carbaldehyde4-(4-Trifluoromethylphenyl)benzaldehyde
이름 더 보기
4'-트리플루오로메틸-비펜일-4-카르발데히드AKOS BAR-01974'-(Trifluoromethyl)-Biphenyl-4-Carboxaldehyde4'-(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-4-CARBOXALDEHYDE[1,1'-Biphenyl]-4-carboxaldehyde,4'-(trifluoroMethyl)-
4'-(TRIFLUOROMETHYL)BIPHENYL-4-CARBALDEHYDE4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxaldehyde4'-(trifluoromethyl)-1,1'-biphenyl-4-carbaldehydeSCHEMBL2268468SCHEMBL5927379[1,1'-Biphenyl]-4-carboxaldehyde, 4'-(trifluoromethyl)-DTXSID80382230CS-M1756
데이터베이스 식별자
- CAS
90035-34-0- PubChem CID
- 2782712
- DTXSID
DTXSID80382230- EC Number
- 618-368-1
- Nikkaji
- J1.149.673C
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
- 271
실험 및 물리화학적 성질
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
물리화학적 성질
- 녹는점
- 70 · 70-72°C
- 끓는 점
- 319.7 · 319.7±42.0 °C(Predicted)
- 밀도
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 밝은 노란색
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (50%): 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- HS 번호
- 2916399090
- hazard_code
- Xi
- 위험 등급
- IRRITANT
화학 및 산업
상·하류 제품 정보
상류 원료
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