에틸2-시아노-3-페닐-프로파노에이트

Ethyl 2-cyano-3-phenylpropanoate

HCID 228103CAS 6731-58-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(C#N)Cc1ccccc1
InChIKey: SYKQOFCBFHMCJV-UHFFFAOYSA-N
분자식: C12H13NO2
평균 분자량: 203.24 g/mol
단동위원소 질량: 203.09462866

이름 및 식별자

우선 이름: Ethyl 2-cyano-3-phenylpropanoate
IUPAC: ethyl 2-cyano-3-phenylpropanoate
현지명: 에틸2-시아노-3-페닐-프로파노에이트
영어명: ethyl 2-cyano-3-phenyl-propanoate
분자식: C12H13NO2
분자량: 203.24

이름 및 동의어

ethyl 2-cyano-3-phenylpropanoateDTXSID40281199RefChem:594341DTXCID90232353849-895-76731-58-4MFCD00067883NSC20717ethyl benzylcyanoacetate2-cyano-3-phenylpropionic acid ethyl esteralpha-cyanobenzenepropanoic acid ethyl esterSCHEMBL7391243

이름 더 보기

에틸2-시아노-3-페닐-프로파노에이트ETHYL 2-CYANO-3-PHENYLPROPIONATEethyl 2-cyano-3-phenyl-propanoateBenzenepropanoic acid, α-cyano-, ethyl ester

SYKQOFCBFHMCJV-UHFFFAOYSA-Nethyl 2-cyano-3-phenylpro-panoatebenzyl-cyanoacetic acid ethyl esterNSC-20717AKOS017445778Ethyl 2-carbonitril-3-phenylpropanoateAS-60999SY023619

데이터베이스 식별자

CAS: 6731-58-4
PubChem CID: 228103
DTXSID: DTXSID40281199
EC Number: 849-895-7
Nikkaji: J1.449.217H

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: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 248

물리화학적 성질

끓는 점: 165 · 165-173 °C(Press: 15 Torr)
밀도: 1.095 · 1.095±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302+H312 (100%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.