p-페닐벤조니트릴

(1,1'-Biphenyl)-4-carbonitrile

HCID 18021

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2920-38-9
표준 SMILES: N#Cc1ccc(-c2ccccc2)cc1
InChIKey: BPMBNLJJRKCCRT-UHFFFAOYSA-N
분자식: C13H9N
평균 분자량: 179.22 g/mol
단동위원소 질량: 179.07349929

이름 및 식별자

우선 이름: (1,1'-Biphenyl)-4-carbonitrile
IUPAC: 4-phenylbenzonitrile
현지명: p-페닐벤조니트릴
영어명: 4-Cyanobiphenyl
분자식: C13H9N
분자량: 179.22

이름 및 동의어

4-CYANOBIPHENYL2920-38-9[1,1'-Biphenyl]-4-carbonitrilep-Phenylbenzonitrilep-Cyanobiphenyl(1,1'-Biphenyl)-4-carbonitrileEINECS 220-860-2NSC 176013DTXSID0062713EC 220-860-2RefChem:391093DTXCID9037953

이름 더 보기

p-페닐벤조니트릴4-Cyanobiphenly4-BiphenylnitrileCYANOBIPHENYL, 4-4-CYANOBIPHENYL 97%4-Cyanobiphenyl,95%

220-860-2InChI=1/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-94-Phenylbenzonitrile4-Biphenylcarbonitrile4-CyanodiphenylBiphenyl-4-carbonitrileMFCD000018214-Biphenylcarboxylic acid nitrile

데이터베이스 식별자

CAS: 2920-38-9
PubChem CID: 18021
DTXSID: DTXSID0062713
UNII: BSS95EC67C
EC Number: 220-860-2
Nikkaji: J306.849H

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 211

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 85 · 85-87 °C(lit.)
끓는 점: 193 °C · 193°C 20mm
밀도: 1.1255 · 1.1255 (rough estimate)
증기압: 0.013 · 0.013-0.03Pa at 25℃
굴절률: 1.727 · 1.7270 (estimate)
인화점: 110 ° · >110°(230°F)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
수용성: 부분적으로 용해됨
BRN: 1907924 · 1907924
InChI: 1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
InChIKey: BPMBNLJJRKCCRT-UHFFFAOYSA-N
SMILES: N#Cc1ccc(cc1)-c2ccccc2
LogP: 3.3 · 3.3-3.77 at 25℃
NIST: 4 · 4-Biphenylcarbonitrile(2920-38-9)
EPA: 1 · [1,1'-Biphenyl]-4-carbonitrile (2920-38-9)

화학적 성질

beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (30.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 05-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20254

Hazard Classes and CategoriesAcute Tox. 4 (30.5%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3439 6.1/PG 3
HS 번호: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 36/37-36/37/39-26-22
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects