4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane

HCID 20374CAS 4362-40-7

기본 정보

표준 SMILES: CC1(C)OCC(CCl)O1
InChIKey: BNPOTXLWPZOESZ-UHFFFAOYSA-N
분자식: C6H11ClO2
평균 분자량: 150.6 g/mol
단동위원소 질량: 150.0447573

이름 및 식별자

우선 이름: 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane
IUPAC: 4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane
영어명: 4-(CHLOROMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE
분자식: C6H11ClO2
분자량: 150.6

이름 및 동의어

4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane1,3-Dioxolane, 4-(chloromethyl)-2,2-dimethyl-BRN 0104463EINECS 224-452-5AI3-17556UNII-0366925SM90366925SM9DTXSID608840655-19-01-00085 (Beilstein Handbook Reference)1-CHLORO-2,3-O-ISOPROPYLIDENEPROPANERefChem:97396DTXCID101023537

이름 더 보기

4-chloromethyl-2,2-dimethyl-3-dioxolane4-(chloromethyl)-2,2-dimethyl-3-dioxolane2,2-Dimethyl-4-(chloromethyl)-1,3-dioxolane4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane,99%4-(CHLOROMETHYL)-2,2-DIMETHYL-1,3- DIOXOLANE 99%4-Chloromethyl-2,2-dimethyl-1,3-dioxolane in methanol4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane in Acetonitrile

(+-)-4-(CHLOROMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE4-(CHLOROMETHYL)-2,2-DIMETHYL-1,3-DIOXOLANE, (+-)-BNPOTXLWPZOESZ-UHFFFAOYSA-N4362-40-74-Chloromethyl-2,2-dimethyl-1,3-dioxolaneMFCD000460971,3-Dioxolane,4-(chloromethyl)-2,2-dimethyl-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane, (+/-)-

데이터베이스 식별자

CAS: 4362-40-7
PubChem CID: 20374
DTXSID: DTXSID60884065
UNII: 0366925SM9
EC Number: 224-452-5
Nikkaji: J83.700H

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 103

물리화학적 성질

끓는 점: 156 · 156-158 °C(lit.)
밀도: 1.063 g/mL · 1.063 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.434(lit.)
인화점: 128 °F · 128 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색
안정성: 휘발성 물질
InChI: 1S/C6H11ClO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4H2,1-2H3
InChIKey: BNPOTXLWPZOESZ-UHFFFAOYSA-N
SMILES: CC1(C)OCC(CCl)O1
EPA: 1 · 1,3-Dioxolane, 4-(chloromethyl)-2,2-dimethyl- (4362-40-7)

화학적 성질

clear colourless to light yellow liquid

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: JH6950000
ridadr: UN 1992 3/PG 3
risk_code: 10-25
hazard_code: T
safety_code: 16-23-26-36/37/39
위험 등급: 3, 6.1
Hazard Classifications: Acute Tox. 3 OralFlam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도4-Chloromethyl-2,2-dimethyl-1,3-dioxolane is used in biosynthetic preparations.

일반 설명4-Chloromethyl-2,2-dimethyl-1,3-dioxolane is a ketal that can be synthesized by the reaction of 3-chloro-propane-1,2-diol (3-MCPD) with acetone in the presence of p-toluene sulfonic acid.