디에틸말론산이염화물

Diethylmalonyl dichloride

HCID 4149059CAS 54505-72-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC(CC)(C(=O)Cl)C(=O)Cl
InChIKey: FWKCXFPQSXNCBW-UHFFFAOYSA-N
분자식: C7H10Cl2O2
평균 분자량: 197.06 g/mol
단동위원소 질량: 196.00578492

이름 및 식별자

우선 이름: Diethylmalonyl dichloride
IUPAC: 2,2-diethylpropanedioyl dichloride
현지명: 디에틸말론산이염화물
영어명: Diethylmalonic acid dichloride
분자식: C7H10Cl2O2
분자량: 197.06

이름 및 동의어

Diethylmalonyl dichloride54505-72-5DTXSID40399920RefChem:133515DTXCID20350776628-346-3FWKCXFPQSXNCBW-UHFFFAOYSA-N2,2-diethylpropanedioyl DichlorideDiethylmalonic acid dichloridediethylpropanedioyl dichlorideDIETHYLMALONICACIDDICHLORIDEDiathylmalonylchlorid

이름 더 보기

디에틸말론산이염화물Diethylmalonyl dichloride 98%2,2-diethylMalonyl dichloridePropanedioyl dichloride, 2,2-diethyl-

diethylmalonyl chloride2,2-diethylmalonyl chlorideSCHEMBL551928Diethylmalonyl dichloride, 98%DB-052592

데이터베이스 식별자

CAS: 54505-72-5
PubChem CID: 4149059
DTXSID: DTXSID40399920
EC Number: 628-346-3
Nikkaji: J1.325.617I

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

물리화학적 성질

끓는 점: 197 · 197-199 °C (lit.)
밀도: 1.145 g/mL · 1.145 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.459(lit.)
인화점: 165 °F · 165 °F
저장 조건: 2 · 2-8°C
물리적 상태: liquid
InChI: 1S/C7H10Cl2O2/c1-3-7(4-2,5(8)10)6(9)11/h3-4H2,1-2H3
InChIKey: FWKCXFPQSXNCBW-UHFFFAOYSA-N
SMILES: CCC(CC)(C(Cl)=O)C(Cl)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, 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.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3265 8/PG 2
risk_code: 34-36/37
hazard_code: C
safety_code: 23-26-27-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Skin Corr. 1BSTOT SE 3
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도Diethylmalonyl dichloride has been used in the preparation of:5,5-diethyl-1,3-dihydroxybarbituric acid (N,N′-dihydroxyveronal) via condensation with 1,3-dibenzyloxyurea1,11-dibronzo-4,8-diaza-6,6-diethyl-5,7-dioxoundecaneamide containing crowned derivatives of dithiomaleonitrile