Methyl 4-ethenylbenzoate

HCID 583124CAS 1076-96-6

기본 정보

표준 SMILES: C=Cc1ccc(C(=O)OC)cc1
InChIKey: NUMHUJZXKZKUBN-UHFFFAOYSA-N
분자식: C10H10O2
평균 분자량: 162.18 g/mol
단동위원소 질량: 162.06807956

이름 및 식별자

우선 이름: Methyl 4-ethenylbenzoate
IUPAC: methyl 4-ethenylbenzoate
영어명: Methyl 4-vinylbenzoate
분자식: C10H10O2
분자량: 162.19

이름 및 동의어

methyl 4-ethenylbenzoateRefChem:816397627-153-1Methyl 4-vinylbenzoate1076-96-6MFCD00017218Benzoic acid, 4-ethenyl-, methyl esterMethyl p-vinylbenzoateMethyl-4-vinylbenzoateBenzoic acid, p-vinyl-, methyl esterSCHEMBL181754Methyl 4-vinylbenzoate, 97%

이름 더 보기

Methyl 4-vinylbenzoate 97%p-Vinylbenzoic acid methyl ester4-VINYL-BENZOIC ACID METHYL ESTER4-Styrenecarboxylic acid methyl ester4-ethenyl-Benzoic acid methyl ester (9CI ACI)Benzoic acid, 4-ethenyl-, methyl ester (9CI, ACI)

orb2940473SCHEMBL9217664SCHEMBL13123692SCHEMBL16618662SCHEMBL21268263DTXSID303425864-Ethenyl-benzoic acid methyl esterTYD-00105

데이터베이스 식별자

CAS: 1076-96-6
PubChem CID: 583124
DTXSID: DTXSID30342586
EC Number: 627-153-1
Nikkaji: J101.419F

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 167

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 32 · 32-36 °C(lit.)
끓는 점: 89 · 89-90℃ (2 Torr)
밀도: 1.058 · 1.058±0.06 g/cm3(Predicted)
굴절률: 1.5568 · 1.5568 (589.3 nm 25℃)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 크리스탈
색상: 하얀색
InChI: InChI=1S/C10H10O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InChIKey: NUMHUJZXKZKUBN-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(C=C)C=C1

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)

Aggregated GHS information provided per 41 reports by companies from 4 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: 3
HS 번호: 2916399090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37

화학 및 산업

응용 분야

용도Methyl 4-vinylbenzoate is used as a fluid component for enhancing ink stability in printing and also in preparing vinyl substituted beta-diketones. Further, it is used as an organic intermediate for pharmaceuticals.

상·하류 제품 정보

상류 원료

Hexane, 1-(ethenylsulfinyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-Ethene, [(trifluoromethyl)sulfinyl]-4-에틸-벤조익산메틸에스테르(XNUMX-ETHYNYL-BENZOICACIDMETHYLESTER)4-비닐벤조산 5,5-dimethyl-2-(4-ethenylphenyl)-1,3,2-dioxaborinane 4-비닐-벤잘데하이드 Tributyl(vinyl)tin 메틸4-요오도벤조에이트 메틸알콜 디 -Tert- 부틸 디 카보네이트 Methyl 4-formylbenzoate Methyl 4-bromobenzoate

공급사50 곳

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海凛南医药科技有限公司15900633975;13262632028

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

연결된 노트

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