디메틸말로닐클로라이드

Dimethylmalonyl Dichloride

HCID 4523180

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5659-93-8
표준 SMILES: CC(C)(C(=O)Cl)C(=O)Cl
InChIKey: CJXQAYQWVNXIQE-UHFFFAOYSA-N
분자식: C5H6Cl2O2
평균 분자량: 169 g/mol
단동위원소 질량: 167.9744848

이름 및 식별자

우선 이름: Dimethylmalonyl Dichloride
IUPAC: 2,2-dimethylpropanedioyl dichloride
현지명: 디메틸말로닐클로라이드
영어명: DIMETHYLMALONYL CHLORIDE
분자식: C5H6Cl2O2
분자량: 169.01

이름 및 동의어

Dimethylmalonyl DichlorideRefChem:588572628-043-6Dimethylmalonyl chloride5659-93-82,2-dimethylpropanedioyl Dichloridedimethylmalonylchloride2,2-Dimethylmalonic acid dichlorideDimethylmalonylchloridPropanedioyl dichloride, 2,2-dimethyl-DimethylmalonylDichlorideMFCD00192081

이름 더 보기

디메틸말로닐클로라이드2,2-diMethylMalonyl dichlorideDiMethylMalonyl chloride 98%Dimethylmalonyl Dichloride >2,2-dimethylpropanedioyl dichlorideDIMETHYLMALONYL CHLORIDE ISO 9001：2015 REACH

SCHEMBL808933Dimethylmalonyl chloride, 98%DTXSID60403917DIMETHYLPROPANEDIOYL DICHLORIDEPropanedioyl dichloride, dimethyl-dimethylmalonic acid dichloridedimethyl malonyl chloride2,2-Dimethylmalonyl chloride

데이터베이스 식별자

CAS: 5659-93-8
PubChem CID: 4523180
DTXSID: DTXSID60403917
EC Number: 628-043-6
Nikkaji: J980.522B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 135

실험 및 물리화학적 성질

Kovats Retention Index915.3

물리화학적 성질

끓는 점: 60 °C10 · 60 °C10 mm Hg(lit.)
밀도: 1.278 g/mL · 1.278 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.451(lit.)
인화점: 125 °F · 125 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 774374 · 774374
InChI: 1S/C5H6Cl2O2/c1-5(2,3(6)8)4(7)9/h1-2H3
InChIKey: CJXQAYQWVNXIQE-UHFFFAOYSA-N
SMILES: CC(C)(C(Cl)=O)C(Cl)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.