4-Ethynyl-1,1'-biphenyl

HCID 34464CAS 29079-00-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C#Cc1ccc(-c2ccccc2)cc1
InChIKey: BPBNKCIVWFCMJY-UHFFFAOYSA-N
분자식: C14H10
평균 분자량: 178.23 g/mol
단동위원소 질량: 178.07825032

개요

structure given in first source

이름 및 식별자

우선 이름: 4-Ethynyl-1,1'-biphenyl
IUPAC: 1-ethynyl-4-phenylbenzene
영어명: 4-Ethynyl-1,1'-biphenyl
분자식: C14H10
분자량: 178.23

이름 및 동의어

4-Ethynyl-1,1'-biphenyl29079-00-34-Ethynylbiphenyl4-Biphenylacetyleneethynyl biphenylDTXSID40183326RefChem:98933DTXCID50105817689-836-01-ethynyl-4-phenylbenzene1,1'-Biphenyl, 4-ethynyl-4-ethynyl-biphenyl

이름 더 보기

4-biphenylylacetylenely819794-ETHYNYL-14-ethynyl-bipheny1,1’-biphenyl,4-ethynyl1-(4-Biphenylyl)acetylene4-ethynyl-1,1'-biphenyl97%4-ethynyl-1,1'-biphenyl (4-ENB)

MFCD00102191CHEMBL374163(1,1'-Biphenyl-4-yl)acetylene4-ethynyl-1-phenylbenzene255056-59-84-Ethynyl Biphenyl(p-Phenyl)phenylacetylene4-Ethynyl-11'-biphenyl

데이터베이스 식별자

CAS: 29079-00-3
PubChem CID: 34464
DTXSID: DTXSID40183326
ChEMBL: CHEMBL374163
EC Number: 689-836-0
Nikkaji: J79.026E

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 205

물리화학적 성질

녹는점: 88 · 88-91 °C(lit.)
끓는 점: 137 °C · 137 °C(Press: 3 Torr)
밀도: 1.06 · 1.06±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H
InChIKey: BPBNKCIVWFCMJY-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=CC=C(C#C)C=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: DV5290000
HS 번호: 2902900000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Ethynyl-1,1''-biphenyl is a general reagent used in the alkynylation of indoles and C1 alkynylation of carbazoles. Also used in the synthesis of [3,2=c]coumarin derivatives using visible-light-promoted radical alkyne insertion.