p-(Trifluoromethoxy)phenyl isocyanate
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기본 정보
- CAS
35037-73-1- 표준 SMILES
O=C=Nc1ccc(OC(F)(F)F)cc1- InChIKey
LGPKFIGMLPDYEA-UHFFFAOYSA-N- 분자식
- C8H4F3NO2
- 평균 분자량
- 203.12 g/mol
- 단동위원소 질량
- 203.01941303
이름 및 식별자
- 우선 이름
- p-(Trifluoromethoxy)phenyl isocyanate
- IUPAC
- 1-isocyanato-4-(trifluoromethoxy)benzene
- 영어명
- 4-(Trifluoromethoxy)phenyl isocyanate
- 분자식
- C8H4F3NO2
- 분자량
- 203.12
이름 및 동의어
4-(Trifluoromethoxy)phenyl isocyanate35037-73-1Benzene, 1-isocyanato-4-(trifluoromethoxy)-p-(Trifluoromethoxy)phenyl isocyanateEINECS 252-328-0DTXSID1067883EC 252-328-0RefChem:857961DTXCID3038933252-328-01-Isocyanato-4-(trifluoromethoxy)benzene4-trifluoromethoxyphenylisocyanate
이름 더 보기
4-(trifluoroMethoxy)ph4-(Trifluoromethoxy)phenyl isocyate4-(Trifluoromethoxy)phenylisocynate4-(trifluoromethoxy)phnyl isocyanate1-isocyanato-4-(trifluoromethoxy)-benzen4-(Trifluoromethoxy)phenyl isocyanate 98%
1-Isocyanato-4-trifluoromethoxy-benzene4-(Trifluoromethoxy)phenylisocyanateC8H4F3NO2MFCD00035702Isocyanic Acid 4-(Trifluoromethoxy)phenyl Ester4-(trifluoromethoxy)benzenisocyanateSCHEMBL180952p-trifluoromethoxyphenyl isocyanate
데이터베이스 식별자
- CAS
35037-73-1- PubChem CID
- 92298
- DTXSID
DTXSID1067883- EC Number
- 252-328-0
- Nikkaji
- J289.882I
물성
구조 계산 물성보충 중
- XLogP
- 3.9
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 227
실험 및 물리화학적 성질
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- -29 °C · -29°C
- 끓는 점
- 78 °C · 78 °C (22 mmHg)
- 밀도
- 1.346 g/mL · 1.346 g/mL at 25 °C(lit.)
- 증기압
- 1.42 hPa · 1.42hPa at 25℃
- 굴절률
- 20 · n20/D 1.458(lit.)
- 인화점
- 158 °F · 158 °F
- 저장 조건
- Refrigerator (+4°C)
- 물리적 상태
- 투명한 액체
- 색상
- 무색~연황색
- 수용성
- 물과 반응합니다.
- BRN
- 977669 · 977669
- LogP
- 2.12 · 2.12
- EPA
- 4 · 4-(Trifluoromethoxy)phenyl isocyanate (35037-73-1)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (97.9%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Benzene, 1-isocyanato-4-(trifluoromethoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-isocyanato-4-(trifluoromethoxy)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 14-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5560
Hazard Classes and CategoriesAcute Tox. 4 (97.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2206 6.1/PG 3
- HS 번호
- 29291090
- risk_code
- 20/21/22-36/37/38-42
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37-22
- 포장분류
- III
- 위험 등급
- 6.1
- F 고인화성물질
- 21
화학 및 산업
용도 및 제조
U.S. Production2020: 44,092 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Benzene, 1-isocyanato-4-(trifluoromethoxy)-: ACTIVE
응용 분야
용도4-(Trifluoromethoxy)phenyl Isocyanate is a reactant in the synthesis of 4-aryl-7-hydroxyindoline-based P2Y1 antagonists as novel antiplatelet agents.
관련 반응
108건
화합물 노트
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