alpha-Cyanocinnamic acid ethyl ester

HCID 668187

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2025-40-3
표준 SMILES: CCOC(=O)/C(C#N)=C/c1ccccc1
InChIKey: KCDAMWRCUXGACP-DHZHZOJOSA-N
분자식: C12H11NO2
평균 분자량: 201.22 g/mol
단동위원소 질량: 201.07897859

이름 및 식별자

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

이름 및 동의어

2169-69-9Ethyl 2-Cyano-3-phenylacrylatealpha-Cyanocinnamic acid ethyl ester(E)-Ethyl 2-cyano-3-phenylacrylateethyl (E)-2-cyano-3-phenylprop-2-enoateethyl (2E)-2-cyano-3-phenylprop-2-enoateMFCD00009137(E)-2-Cyano-3-phenyl-acrylic acid ethyl esterEthyl (E)-2-cyano-3-phenylacrylateCinnamic acid, alpha-cyano-, ethyl ester2-Propenoic acid, 2-cyano-3-phenyl-, ethyl ester(E)-Ethyl 2-Cyano-3-phenyl-2-propenoate

이름 더 보기

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

ethyl (E)-2-cyano-3-phenyl-prop-2-enoateEthyl alpha-cyano-beta-phenylcinnamateEthyl .alpha.-cyanocinnamateEthyl trans-alpha-cyanocinnamate2-Cyano-3-phenylacrylic Acid Ethyl EsterNSC 8904EINECS 217-972-9Ethyl |A-Cyanocinnamate

데이터베이스 식별자

CAS: 2025-40-3、2169-69-9
PubChem CID: 668187
ChEMBL: CHEMBL4091929
EC Number: 634-979-6
Nikkaji: J80.417G

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]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.