2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile

HCID 4115353CAS 213749-91-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCC(CC)COc1cc(CC#N)c(OC)cc1CC#N
InChIKey
YGAQISIJKKIHRN-UHFFFAOYSA-N
분자식
C19H26N2O2
평균 분자량
314.4 g/mol
단동위원소 질량
314.19942807

이름 및 식별자

우선 이름
2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile
IUPAC
2-[4-(cyanomethyl)-2-(2-ethylhexoxy)-5-methoxyphenyl]acetonitrile
영어명
2-Methoxy-5-(2'-ethylhexyloxy)benzene-1&
분자식
C19H26N2O2
분자량
314.42

이름 및 동의어

213749-91-82-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile2-[4-(cyanomethyl)-2-(2-ethylhexoxy)-5-methoxyphenyl]acetonitrile2,2'-(2-((2-Ethylhexyl)oxy)-5-methoxy-1,4-phenylene)diacetonitrile2,2'-{2-[(2-Ethylhexyl)oxy]-5-methoxy-1,4-phenylene}diacetonitrileSCHEMBL6763498DTXSID90399470AKOS0158890532-METHOXY-5-(2-ETHYLHEXYLOXY)BENZENE-1&1,4-bis(cyanomethyl)-2(2'-ethylhexyloxy)-5-methoxybenzene2-Methoxy-5-(2'-ethylhexyloxy)benzene-1,4-diacetonitrile, 98%2-METHOXY-5-(2-ETHYLHEXYLOXY)BENZENE-1&;2-METHOXY-5-(2-ETHYLHEXYLOXY)BENZENE- &;2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile, 98%;2-Methoxy-5-(2-ethylhexyloxy)benzene-1,4-diacetonitrile ,98%;2-Methoxy-5-(2-ethylhexyloxy)benzene-1,4-diacetonitri
이름 더 보기
2-METHOXY-5-(2'-ETHYLHEXYLOXY)BENZENE- &2-Methoxy-5-(2'-ethylhexyloxy)benzene-1&2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile,98%1,4-Benzenediacetonitrile, 2-[(2-ethylhexyl)oxy]-5-methoxy-2-(2-Ethylhexyloxy)-5-methoxy-1,4-benzenediacetonitrile, 98%2-Methoxy-5-(2'-ethylhexyloxy)benzene-1,4-diacetonitrile 98%2-Methoxy-5-(2'-ethylhexyloxy)benzene-1,4-diacetonitrile ,98%

데이터베이스 식별자

CAS
213749-91-8
PubChem CID
4115353
DTXSID
DTXSID90399470
EC Number
679-084-1
Nikkaji
J1.171.614H

물성

구조 계산 물성

XLogP
4.3
극성 표면적
66 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
10
무거운 원자 수
23

물리화학적 성질

녹는점
89.3 · 89.3-92.7 °C(lit.)
끓는 점
470.1 · 470.1±40.0 °C(Predicted)
밀도
1.028 · 1.028±0.06 g/cm3(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

wgk
3
위험 등급
6.1

화학 및 산업

응용 분야

일반 설명Monomeric precursor for the light emitting polymer MEH-CN-PPV

상·하류 제품 정보

공급사3 곳

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

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