4-비페닐릴이소시아네이트

4-Biphenylyl isocyanate

HCID 3612319

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 92-95-5
표준 SMILES: O=C=Nc1ccc(-c2ccccc2)cc1
InChIKey: WIRPZDICFIIBRF-UHFFFAOYSA-N
분자식: C13H9NO
평균 분자량: 195.22 g/mol
단동위원소 질량: 195.06841391

이름 및 식별자

우선 이름: 4-Biphenylyl isocyanate
IUPAC: 1-isocyanato-4-phenylbenzene
현지명: 4-비페닐릴이소시아네이트
영어명: 4-Biphenylyl isocyanate
분자식: C13H9NO
분자량: 195.22

이름 및 동의어

4-Biphenylyl isocyanate92-95-54-isocyanato-1,1'-biphenyl4-Biphenyl isocyanatep-Xenylcarbimide4-Isocyanatobiphenylp-Diphenyl isocyanate4-Phenylphenyl isocyanatep-Xenylcarbimide [MI]p-Phenylphenyl isocyanateB0ZSP4UPQ41,1'-Biphenyl, 4-isocyanato-

이름 더 보기

4-비페닐릴이소시아네이트p-xenyl isocyanateBiphenyl-4-yl isocyanate4-Biphenylyl isocyanate 97%

DTXSID30394186RefChem:518565DTXCID20345046624-654-71-isocyanato-4-phenylbenzeneUNII-B0ZSP4UPQ41-isocyanato-4-phenyl-benzeneMFCD00037089

데이터베이스 식별자

CAS: 92-95-5
PubChem CID: 3612319
DTXSID: DTXSID30394186
UNII: B0ZSP4UPQ4
EC Number: 624-654-7
Nikkaji: J4.663I

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 231

물리화학적 성질

녹는점: 59 · 59-62 °C(lit.)
끓는 점: 110 · 110-112 °C1 mm Hg(lit.)
밀도: 1.04 · 1.04
굴절률: 1.606 · 1.6060 (estimate)
인화점: 115.4 ℃ · 115.4℃
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 주황색에서 빨간색, 갈색까지
Merck: 13 · 13,10130
InChI: 1S/C13H9NO/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H
InChIKey: WIRPZDICFIIBRF-UHFFFAOYSA-N
SMILES: O=C=Nc1ccc(cc1)-c2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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 3335
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 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: 11 - Combustible Solids

화학 및 산업

응용 분야

용도As a reagent for the identification of hydroxy compounds, with which it gives crystalline derivatives of definite melting point.

일반 설명4-Biphenylyl isocyanate, also known as 4-isocyanatobiphenyl, is an aryl isocyanate. Its enthalpy of vaporization at boiling point has been reported. Its density and refractive index are 1.1266g/cm3 and 1.6060, respectively at 25°C.