에틸4-니트로신나메이트

Ethyl 3-(4-nitrophenyl)-2-propenoate

HCID 95370

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 953-26-4
표준 SMILES: CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIKey: PFBQVGXIMLXCQB-UHFFFAOYSA-N
분자식: C11H11NO4
평균 분자량: 221.21 g/mol
단동위원소 질량: 221.06880783

이름 및 식별자

우선 이름: Ethyl 3-(4-nitrophenyl)-2-propenoate
IUPAC: ethyl 3-(4-nitrophenyl)prop-2-enoate
현지명: 에틸4-니트로신나메이트
영어명: Ethyl 4-nitrocinnamate
분자식: C11H11NO4
분자량: 221.21

이름 및 동의어

953-26-4RefChem:343205Ethyl 3-(4-nitrophenyl)-2-propenoateEthyl 3-(4-nitrophenyl)acrylate4-Nitrocinnamic Acid Ethyl Esterethyl 3-(4-nitrophenyl)prop-2-enoateMFCD00007380NSC 4697EINECS 213-463-01-09-00-00247 (Beilstein Handbook Reference)Cinnamic ap-Nitrozimtsaureathylester

이름 더 보기

에틸4-니트로신나메이트AKOS 344RARECHEM AL BI 0194ETHYL 4-NITROCINNAMATEETHYL-P-NITROCINNAMATEETHYL 4-NITROCINNNAMATEEthyl 4-nitrocinnamate ,97%4-Nitrozimtsaeure-ethylesterp-nitro-cinnamicaciethylester

Z53861742p-nitro cinnamic ethyl esterSCHEMBL845971PFBQVGXIMLXCQB-UHFFFAOYSA-NAKOS017265229Ethyl-3-(4-nitrophenyl)prop-2-enoateSY0785373-(4-nitrophenyl)acrylic acid ethyl ester

데이터베이스 식별자

CAS: 953-26-4
PubChem CID: 95370
DTXSID: DTXSID8061347
EC Number: 213-463-0

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 72.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 274

물리화학적 성질

녹는점: 138 · 138-140 °C(lit.)
끓는 점: 362.26 °C · 362.26°C (rough estimate)
밀도: 0.87 g/cm3 · 0.87 g/cm3 (20℃)
굴절률: 1.52 · 1.5200 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 미세 결정성 분말
색상: 밝은 노란색-베이지색에서 노란색까지
수용성: 불용성
BRN: 2052533 · 2052533
InChI: 1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+
InChIKey: PFBQVGXIMLXCQB-VMPITWQZSA-N
SMILES: CCOC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O
NIST: Ethyl p-nitro cinnamate(953-26-4)
EPA: 2 · 2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester (953-26-4)

화학적 성질

light yellow-beige to yellow fine cryst. powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

유해성 정보

Regulatory Information2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: GE0353332
HS 번호: 29163900
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing Information2-Propenoic acid, 3-(4-nitrophenyl)-, ethyl ester: ACTIVE

응용 분야

용도Ethyl 4-nitrocinnamate was used to study the kinetics of reduction of ethyl t-cinnamate and its substituted derivatives by samarium diiodide in the presence of hexamethylphosphoramide and t-butanol.