Diethyl 2-benzylpropanedioate (HCID 69090)

이름 및 식별자

우선 이름: Diethyl 2-benzylpropanedioate
IUPAC: diethyl 2-benzylpropanedioate
영어명: Diethyl benzylmalonate
분자식: C14H18O4
분자량: 250.29

이름 및 동의어

Diethyl benzylmalonate607-81-8Diethyl 2-benzylmalonatediethyl 2-benzylpropanedioateBenzylmalonic acid diethyl esterPropanedioic acid, (phenylmethyl)-, diethyl esterMalonic acid, benzyl-, diethyl esterMalonic acid, 2-benzyl-, diethyl esterNSC 87202-benzylmalonic acid diethyl esterEINECS 210-142-7NSC 41169

이름 더 보기

NSC 631631AKOS BBS-00006590Diethyl benzylmaloteRacecadotril Impurity KDiethylBenzylmalonate>Diethyl benzylmalonate,97%

NSC-41169NSC-63163140Y0X0XN6PAI3-01359NSC-8720Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester1,1-BIS(ETHOXYCARBONYL)-2-PHENYLETHANEDTXSID4022078

데이터베이스 식별자

CAS: 607-81-8
PubChem CID: 69090
DTXSID: DTXSID4022078
UNII: 40Y0X0XN6P
EC Number: 210-142-7
Nikkaji: J134.657A

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 8
무거운 원자 수: 18
형식 전하: 0
복잡도: 251

실험 및 물리화학적 성질

SpringerMaterials PropertiesDiamagnetic susceptibility

LogP2.76

물리화학적 성질

끓는 점: 162 · 162-163 °C/10 mmHg (lit.)
밀도: 1.064 g/mL · 1.064 g/mL at 25 °C (lit.)
증기압: 0.26 Pa · 0.26Pa at 25℃
굴절률: 20 · n20/D 1.486(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 12.56 · 12.56±0.46(Predicted)
물리적 상태: 무색 액체
색상: 무색 내지 거의 무색
수용성: 섞일 수 없음
BRN: 615793 · 615793
InChI: 1S/C14H18O4/c1-3-17-13(15)12(14(16)18-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKey: ICZLTZWATFXDLP-UHFFFAOYSA-N
SMILES: CCOC(=O)C(Cc1ccccc1)C(=O)OCC
LogP: 2.76 · 2.76
NIST: Propanedioic acid, (phenylmethyl)-, diethyl ester(607-81-8)
EPA: 2 · Propanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester (607-81-8)

화학적 성질

Colourless Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Propanedioic acid, (phenylmethyl)-, diethyl ester

Status: Active Update: 17-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16822

Propanedioic acid, (phenylmethyl)-, diethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAquatic Chronic 2 (25%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29173980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 24/25-36-26
Hazard Classifications: Aquatic Chronic 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanedioic acid, 2-(phenylmethyl)-, 1,3-diethyl ester: ACTIVE

응용 분야

용도Diethyl Benzylmalonate (cas# 607-81-8) is a compound useful in organic synthesis.

일반 설명Diethyl benzylmalonate on condensation with 2-amino-benzimidazole yields 3-benzyl-4-hydroxypyrimido[1,2-a]benzimidazole-2-one.

상·하류 제품 정보

상류 원료

브롬화암모늄 탄산 칼륨 벤질브로마이드 말론산

하류 제품

디에틸(아세틸아미노)((2-((비스(2-히드록시에틸)아미노)메틸)-5-니트로페닐)메틸)프로판디오에이트 4-하이드록시-3-벤질쿠마린 디에틸2-(아세트아미도)-2-(2-(브로모메틸)-5-니트로벤질)말로네이트 디에틸(아세틸아미노)((2-((비스(2-클로로에틸)아미노)메틸)-5-니트로페닐)메틸)프로판디오에이트 2-Benzylacrylic acid 2-[2-(디메틸아미노)에틸]-1-인다논 Benzylmalonic acid 3-벤질펜탄디오익산

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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

武汉鹏垒生物科技有限公司15871464247 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

山东前元高分子材料有限公司18678041314 18765609661 · [email protected]

연결된 노트

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Diethyl 2-benzylpropanedioate

기본 정보