기본 정보
- CAS
1591-95-3- 표준 SMILES
O=C=Nc1c(F)c(F)c(F)c(F)c1F- InChIKey
QXLDBWRLZDBVGF-UHFFFAOYSA-N- 분자식
- C7F5NO
- 평균 분자량
- 209.07 g/mol
- 단동위원소 질량
- 208.99000443
이름 및 식별자
- 우선 이름
- Perfluorophenyl isocyanate
- IUPAC
- 1,2,3,4,5-pentafluoro-6-isocyanatobenzene
- 현지명
- 펜타플루오로페닐이소시아네이트97
- 영어명
- Pentafluorophenyl isocyanate 97
- 분자식
- C7F5NO
- 분자량
- 209.07
이름 및 동의어
Pentafluorophenyl isocyanate1591-95-3Perfluorophenyl isocyanateEINECS 216-470-7DTXSID90166583RefChem:860292DTXCID4089074216-470-71,2,3,4,5-pentafluoro-6-isocyanatobenzeneMFCD01863699Benzene, 1,2,3,4,5-pentafluoro-6-isocyanato-Isocyanate, pentafluorophenyl-
이름 더 보기
펜타플루오로페닐이소시아네이트97PentafluoroisocyanatobenzenePentafluorophenyl isocyanate 97%Pentafluorophenyl isocyanate 972,3,4,5,6-PentafluoroPhenyl isocyanateIsocyanic Acid Pentafluorophenyl Ester
C7F5NOBenzene, pentafluoroisocyanato-SCHEMBL136454Pentafluorophenylisocyanate, 95%Pentafluorophenyl isocyanate, 97%AKOS009157796FP14268FS-4927
데이터베이스 식별자
- CAS
1591-95-3- PubChem CID
- 74125
- DTXSID
DTXSID90166583- EC Number
- 216-470-7
- Nikkaji
- J206.833H
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 29.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 240
물리화학적 성질
- 녹는점
- 36 °C · 36 °C
- 끓는 점
- 52 °C/2 · 52 °C/2 mmHg (lit.)
- 밀도
- 1.6 g/mL · 1.6 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.449(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- InChI
- 1S/C7F5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
- InChIKey
- QXLDBWRLZDBVGF-UHFFFAOYSA-N
- SMILES
- Fc1c(F)c(F)c(N=C=O)c(F)c1F
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2206 6.1/PG 3
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 23-26-36
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도Pentafluorophenyl Isocyanate is used as a reactant in the inhibition of carbonic anhydrase IX and antimetastatic activity in breast cancer metastasis of ureidobenzenesulfonamides.
일반 설명Pentafluorophenyl isocyanate (PFPI), an aryl isocyanate, is an N-protecting reagent. The photoinduced intermolecular carbamoylation of tertiary ethereal C-H bond of fused bicyclic system using PFPI/benzophenone has been reported. Reacting wood polymers with PFPI can make them resistant to fungal attack by forming a stable carbamate bond.
공급사25 곳
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Syntechem Co.,Ltd[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.
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