에틸시스-베타-시아노아크릴레이트

Ethyl (2Z)-3-cyanoprop-2-enoate

HCID 15577688

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40594-97-6
표준 SMILES: CCOC(=O)/C=C\C#N
InChIKey: AMQZZSZCLSVKLO-ARJAWSKDSA-N
분자식: C6H7NO2
평균 분자량: 125.13 g/mol
단동위원소 질량: 125.04767846

이름 및 식별자

우선 이름: Ethyl (2Z)-3-cyanoprop-2-enoate
IUPAC: ethyl (Z)-3-cyanoprop-2-enoate
현지명: 에틸시스-베타-시아노아크릴레이트
영어명: Ethyl cis-beta-cyanoacrylate
분자식: C6H7NO2
분자량: 125.13

이름 및 동의어

40594-97-6Ethyl (2Z)-3-cyanoprop-2-enoateDTXSID50574726RefChem:341740DTXCID30525498626-020-5Ethyl cis-(beta-cyano)acrylateethyl cis-beta-cyanoacrylateethyl (Z)-3-cyanoprop-2-enoate(Z)-ethyl 3-cyanoacrylateMFCD03428510Ethyl (Z)-3-Cyanoacrylate

이름 더 보기

에틸시스-베타-시아노아크릴레이트Ethyl cis-(beta-cyano)Ethyl cis-β-cyanoacrylateethyl cis-(β-cyano)acrylateEthyl (Z)-3-cyano-2-propenoateEthyl (2Z)-3-cyano-2-propenoateEthyl cis-(beta-cyano)acrylate 97%Ethyl cis-(β-cyano)acrylate

ethyl cis-3-cyanoacrylateA825190(z)-ethyl beta-cyanoacrylateSCHEMBL600328(Z)-3-cyano-acrylic acid ethyl esterAKOS015999145Ethyl cis-(beta-cyano)acrylate, 97%BS-23570

데이터베이스 식별자

CAS: 40594-97-6
PubChem CID: 15577688
DTXSID: DTXSID50574726
EC Number: 626-020-5
Nikkaji: J807.893I

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 50.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 300 °C · >300 °C(Solv: methanol (67-56-1); ethyl ether (60-29-7))
끓는 점: 215 °C · 215 °C(lit.)
밀도: 1.044 g/mL · 1.044 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4530(lit.)
인화점: 225 °F · 225 °F
저장 조건: 2 · 2-8°C
InChI: 1S/C6H7NO2/c1-2-9-6(8)4-3-5-7/h3-4H,2H2,1H3/b4-3-
InChIKey: AMQZZSZCLSVKLO-ARJAWSKDSA-N
SMILES: [H]\C(C#N)=C(/[H])C(=O)OCC

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 2
ridadr: UN 3082 9/PG 3
risk_code: 36/37/38-51/53
hazard_code: Xi,N
safety_code: 26-28-61
Hazard Classifications: Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도Ethyl cis-β-cyanoacrylate behaves as a dienophile in the synthesis of indeno[2,1-a]pyrrolo[3,4-c]carbazole lactam regioisomers via Diels-Alder reaction.