4-Phenoxyphenyl isocyanate

HCID 2734896CAS 59377-19-4

기본 정보

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 Å²
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

GHS 분류

GHS Classification · 4건

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 · 2건

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.