Ethyl benzylidenecyanoacetate

HCID 74845CAS 2025-40-3

기본 정보

표준 SMILES: CCOC(=O)C(C#N)=Cc1ccccc1
InChIKey: KCDAMWRCUXGACP-UHFFFAOYSA-N
분자식: C12H11NO2
평균 분자량: 201.22 g/mol
단동위원소 질량: 201.07897859

이름 및 식별자

우선 이름: Ethyl benzylidenecyanoacetate
IUPAC: ethyl 2-cyano-3-phenylprop-2-enoate
영어명: alpha-Cyanocinnamic acid ethyl ester
분자식: C12H11NO2
분자량: 201.22

이름 및 동의어

2025-40-3Ethyl benzylidenecyanoacetateRefChem:1085028ALPHA-CYANOCINNAMICACIDETHYLESTEREthyl (E)-2-cyano-3-phenylacrylateMFCD00550088ethyl cyanocinnamate2-Cyano-3-phenylacrylic Acid Ethyl Esterethyl 2-cyano-3-phenylprop-2-enoateSCHEMBL988238SCHEMBL9314361DTXSID8062107

이름 더 보기

Ethyl 2-cyanocinnamateEthyl αAURORA KA-3351-CyanocinnamateRARECHEM AK ML 0016-Thioglucopyranoside-BromoethylglyoxalateEthyl α-CyanocinnaMateETHYL-A-CYANOCINNAMATEETHYL ALPHA-CYANOCINNAMATE

KCDAMWRCUXGACP-UHFFFAOYSA-NAKOS017083065Benzylidenecyanoacetic acid ethyl esterethyl 2-cyano-3-phenyl-prop-2-enoate2-cyano-3-phenylpropenoic acid ethyl esterDB-045137

데이터베이스 식별자

CAS: 2025-40-3
PubChem CID: 74845
DTXSID: DTXSID8062107
EC Number: 217-972-9

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 50.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 292

물리화학적 성질

녹는점: 51 · 51-53 °C(lit.)
끓는 점: 188 °C15 · 188 °C15 mm Hg(lit.)
밀도: 1.1076 · 1.1076
굴절률: 1.5033 · 1.5033 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Store at room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
EPA: 2 · 2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester (2025-40-3)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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.