기본 정보
- CAS
148043-73-6- 표준 SMILES
OCCCC(F)(F)C(F)(F)F- InChIKey
QROUUECTKRZFHF-UHFFFAOYSA-N- 분자식
- C5H7F5O
- 평균 분자량
- 178.1 g/mol
- 단동위원소 질량
- 178.04170594
이름 및 식별자
- 우선 이름
- 4,4,5,5,5-Pentafluoropentan-1-ol
- IUPAC
- 4,4,5,5,5-pentafluoropentan-1-ol
- 영어명
- 4,4,5,5,5-Pentafluoro-1-pentanol
- 분자식
- C5H7F5O
- 분자량
- 178.1
이름 및 동의어
4,4,5,5,5-Pentafluoro-1-pentanol4,4,5,5,5-Pentafluoropentan-1-olEC 421-360-9RefChem:506993421-360-9604-621-3148043-73-6pentafluoropentanol1-Pentanol, 4,4,5,5,5-pentafluoro-4,4,5,5,5-pentafluoropentanolMFCD001532243-(Perfluoroethyl)propanol
이름 더 보기
Fulvestrant Impurity 31Fulvestrant InterMediatesFulvestrant intermediate C1,1,5,5,5-pentafluoro-1-pentanol1-Pentanol,4,4,5,5,5-pentafluoro-4,4,5,5,5-Pentafluoropentan-1-ol96%
SCHEMBL3384074,4,5,5,5-pentafluoropentyl alcohol4,4,5,5,5-Pentafluoro-1-pentanol, 95%P1342FT-0616981Fulvestrant Impurity 114,4,5,5,5-pentafluoSCHEMBL866586
데이터베이스 식별자
- CAS
148043-73-6- PubChem CID
- 547967
- DTXSID
DTXSID70869964- ChEMBL
CHEMBL4552519- EC Number
- 421-360-9、604-621-3
- Nikkaji
- J1.644.018C
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 119
실험 및 물리화학적 성질
PFAS
PFAS -> Other/unspecified
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
물리화학적 성질
- 끓는 점
- 62 · 62-64 °C35 mm Hg(lit.)
- 밀도
- 1.35 g/mL · 1.35 g/mL at 25 °C(lit.)
- 증기압
- 1.1 · 1.1-155.2hPa at 25-80.3℃
- 굴절률
- 20 · n20/D 1.33(lit.)
- 인화점
- 145 °F · 145 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름에 용해됨
- 산도 계수 (pKa)
- 14.77 · 14.77±0.10(Predicted)
- 물리적 상태
- 액체
- 색상
- 무색의
- InChI
- InChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2
- InChIKey
- QROUUECTKRZFHF-UHFFFAOYSA-N
- SMILES
- C(O)CCC(F)(F)C(F)(F)F
- LogP
- 1.59 at · 1.59 at 25℃ and pH7
- EPA
- 3 · 3-(Perfluoroethyl)propanol (148043-73-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (31.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationStatus: Active Update: 09-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18958
Hazard Classes and Categories
Flam. Liq. 3 (48.5%)
Acute Tox. 4 (31.6%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 데이터
- wgk
- 2
- ridadr
- 1993
- HS 번호
- 29055900
- risk_code
- 36-36/37/38
- hazard_code
- Xi,F
- safety_code
- 26-36
- 위험 등급
- FLAMMABLE
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
개요4,4,5,5,5-Pentafluoro-1-pentanol (PFP; Pentafluoropentanol) is an essential building block primarily used in the commercial manufacture of the API. It is typically activated with a sulfonate leaving group and displaced selectively by the sulfur atom in 9-mercapto-1-nonanol to make 9-[(4,4,5,5,5-pentafluoropentyl)-thio]-1-nonanol (FVS). FVS is subsequently converted into a bromide and coupled with the steroid portion to make fulvestrant. First approved by the FDA in 2002, fulvestrant is a medication used to treat hormone receptor (HR)-positive metastatic breast cancer in postmenopausal women with disease progression.
용도4,4,5,5,5-Pentafluoro-1-pentanol may be used in the preparation of chlorine-capped telechelic poly(methyl methacrylate)s.
일반 설명4,4,5,5,5-Pentafluoro-1-pentanol, also known as pentafluoropentanol, is a perfluorous solvent.
상·하류 제품 정보
상류 원료
공급사100 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海恩氟佳科技有限公司15800445152 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
苏州法姆医药科技有限公司0510-88771160 18051901298 · [email protected]
관련 반응
22건
화합물 노트
불러오는 중…