p-(Trifluoromethoxy)phenyl isocyanate (HCID 92298)

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 물성

XLogP: 3.9
극성 표면적: 38.7 Å²
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

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 3건

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
위험 참고 사항: Irritant

화학 및 산업

용도 및 제조

U.S. Production2020: 44,092 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

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.