1,1- 디 페닐 에틸렌

1,1-Diphenylethylene

HCID 10740CAS 530-48-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: C=C(c1ccccc1)c1ccccc1
InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N
분자식: C14H12
평균 분자량: 180.24 g/mol
단동위원소 질량: 180.09390038

개요

structure

이름 및 식별자

우선 이름: 1,1-Diphenylethylene
IUPAC: 1-phenylethenylbenzene
현지명: 1,1- 디 페닐 에틸렌
영어명: 1,1-Diphenylethylene
분자식: C14H12
분자량: 180.25

이름 및 동의어

1,1-DIPHENYLETHYLENE530-48-31,1-DiphenyletheneBenzene, 1,1'-ethenylidenebis-alpha-PhenylstyreneBX0L5B6LLLalpha,alpha-Diphenylethylenealpha-Methylene-diphenylmethaneNSC-57645DTXSID5060190RefChem:71127DTXCID7041336

이름 더 보기

1,1-디페닐에틸렌DiphenylethyleneDDNU1-BROMO-4-(DIETHOXYMETHYL)BENZENEDKSI0101,1-distyreneα,α-diphenylethylene

208-482-6ethene-1,1-diyldibenzene(1-phenylethenyl)benzene1-phenylethenylbenzeneunsym-DiphenylethyleneEthylene, 1,1-diphenyl-as-DiphenylethyleneMFCD00008583

데이터베이스 식별자

CAS: 530-48-3
PubChem CID: 10740
DTXSID: DTXSID5060190
UNII: BX0L5B6LLL
EC Number: 208-482-6
Nikkaji: J6.702D

물성

구조 계산 물성

XLogP: 4.6
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: 160

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials PropertiesBoiling point

Physical DescriptionLiquid; mp = 8.2 deg C; [Merck Index] Yellow liquid; [MSDSonline]

물리화학적 성질

녹는점: 6 °C · 6 °C (lit.)
끓는 점: 270 · 270-271 °C (lit.)
밀도: 1.021 g/mL · 1.021 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.608(lit.)
인화점: 221 °F · 221 °F
저장 조건: 2 · 2-8°C
물리적 상태: 액체
색상: 무색~황금색 투명
수용성: 메탄올, 클로로포름, 에테르와 혼합 가능. 물에 불용성.
Merck: 14 · 14,3323
BRN: 1099062 · 1099062
InChI: 1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
InChIKey: ZMYIIHDQURVDRB-UHFFFAOYSA-N
SMILES: C=C(c1ccccc1)c2ccccc2
NIST: 1 · Ethylene, 1,1-diphenyl-(530-48-3)
EPA: 1 · Benzene, 1,1'-ethenylidenebis- (530-48-3)

화학적 성질

Clear colorless to golden liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.9% (1 of 116) of reports.

Danger

H304 (89.7%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P261, P272, P273, P280, P301+P316, P302+P352, P321, P331, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 116 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, 1,1'-ethenylidenebis-

Status: Active Update: 28-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13775

Benzene, 1,1'-ethenylidenebis-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; Toxicity not fully known; [MSDSonline]

Hazard Classes and CategoriesAsp. Tox. 1 (89.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9 / PGIII
HS 번호: 29029090
safety_code: 23-24/25
위험 등급: 9
Hazard Classifications: Aquatic Chronic 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1,1'-ethenylidenebis-: ACTIVE

응용 분야 · 1건

용도1,1-Diphenylethylene is used in the preparation of 2-chloro-1,1-diphenyl-ethene by reacting with benzeneseleninyl chloride and aluminum(III) chloride as reagents. It acts as an intermediate in organic synthesis as well as in pharmaceuticals.