4-Phenoxyphenyl isocyanate
기본 정보
- CAS
59377-19-4- 표준 SMILES
O=C=Nc1ccc(Oc2ccccc2)cc1- InChIKey
PNBUGOFIKAHZRW-UHFFFAOYSA-N- 분자식
- C13H9NO2
- 평균 분자량
- 211.22 g/mol
- 단동위원소 질량
- 211.06332853
이름 및 식별자
- 우선 이름
- 4-Phenoxyphenyl isocyanate
- IUPAC
- 1-isocyanato-4-phenoxybenzene
- 영어명
- 4-Phenoxyphenyl isocyanate
- 분자식
- C13H9NO2
- 분자량
- 211.22
이름 및 동의어
4-Phenoxyphenyl isocyanate59377-19-4DTXSID70370560RefChem:295411DTXCID50321595626-491-71-isocyanato-4-phenoxybenzene4-Phenoxyphenylisocyanate1-isocyanato-4-phenoxy-benzeneBenzene, 1-isocyanato-4-phenoxy-MFCD00013876p-phenoxyphenylisocyanate
이름 더 보기
p-Phenoxyphenyl isocyanate4-Isocyanatodiphenyl ether4-Phenoxyphenyl isocyanate 98%4-Phenoxyphenyl isocyanate,98%4-phenoxyphenylisonitrileacidester4-Phenoxyphenyl isocyanate, 98% 5GR4-Phenoxyphenyl isocyanate, 98% 1GR
4-phenoxy phenyl isocyanate4-phenyloxyphenyl isocyanate1-isocyanato-4-phenoxy benzene4-Phenoxyphenyl isocyanate, 98%AKOS0052067084-phenoxybenzenisocyanate4-phenoxyphenyl-isocyanateFT-0619373
데이터베이스 식별자
- CAS
59377-19-4- PubChem CID
- 2734896
- DTXSID
DTXSID70370560- EC Number
- 626-491-7
- Nikkaji
- J308.901K
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 38.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 247
물리화학적 성질
- 끓는 점
- 170 °C/3 · 170 °C/3 mmHg (lit.)
- 밀도
- 1.169 g/mL · 1.169 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.595(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- BRN
- 393196 · 393196
- InChI
- 1S/C13H9NO2/c15-10-14-11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9H
- InChIKey
- PNBUGOFIKAHZRW-UHFFFAOYSA-N
- SMILES
- O=C=Nc1ccc(Oc2ccccc2)cc1
화학적 성질
Clear colorless to slightly yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): 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, P316, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2206 6.1/PG 3
- HS 번호
- 29291000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- 포장분류
- III
- 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
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도4-Phenoxyphenyl Isocyanate is a reagent used for the preparation of piperazinylquinazoline ureas by condensation of piperazinylquinazoline with aryl isocyanates. It is also reported to be used for the synthesis and evaluation of urea-based indazoles.
일반 설명4-Phenoxyphenyl isocyanate, also known as 1-isocyanato-4-phenoxybenzene, is an aryl isocyanate. Its enthalpy of vaporization at boiling point has been reported.
관련 반응
49건
화합물 노트
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