5-클로로-2-펜타논에틸렌케탈

2-(3-Chloropropyl)-2-methyl-1,3-dioxolane

HCID 80079CAS 5978-08-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(CCCCl)OCCO1
InChIKey: OFERIRWCHSOJJT-UHFFFAOYSA-N
분자식: C7H13ClO2
평균 분자량: 164.63 g/mol
단동위원소 질량: 164.06040734

이름 및 식별자

우선 이름: 2-(3-Chloropropyl)-2-methyl-1,3-dioxolane
IUPAC: 2-(3-chloropropyl)-2-methyl-1,3-dioxolane
현지명: 5-클로로-2-펜타논에틸렌케탈
영어명: 5-Chloro-2-pentanone cyclic ethylene ketal
분자식: C7H13ClO2
분자량: 164.63

이름 및 동의어

2-(3-Chloropropyl)-2-methyl-1,3-dioxolane5978-08-52,2-(Ethylenedioxy)-5-chloropentaneMLK2GJP7MANSC-135783EINECS 227-776-51,3-Dioxolane, 2-(3-chloropropyl)-2-methyl-NSC 135783OFERIRWCHSOJJT-UHFFFAOYSA-DTXSID702085164,4-(ETHYLENEDIOXY)PENTYL CHLORIDE5-CHLOROPENTAN-2-ONE ETHYLENE ACETAL

이름 더 보기

5-클로로-2-펜타논에틸렌케탈4,4-(Ethylenedioxy)pentyl chloride.5-Chloro-2-pentanone ethylene acetal2-Methyl-(3-chloropropyl)-1,3-dioxolane5-CHLORO-2-PENTANONE ETHYLENE KETAL 97%5-Chloro-2-pentanone ethylene ketal,97%2-(3-CHLOROPROPYL)-2-METHYL-1 3- &5-Chloro-2-pentanone cyclic ethylene ketal

RefChem:455437DTXCID20131007227-776-5InChI=1/C7H13ClO2/c1-7(3-2-4-8)9-5-6-10-7/h2-6H2,1H35-Chloro-2-pentanone ethylene ketalMFCD00003217NSC1357831, 2-(3-chloropropyl)-2-methyl-

데이터베이스 식별자

CAS: 5978-08-5
PubChem CID: 80079
DTXSID: DTXSID70208516
UNII: MLK2GJP7MA
EC Number: 227-776-5
Nikkaji: J129.322B

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 99.8

물리화학적 성질

끓는 점: 73 · 73-76 °C/7 mmHg (lit.)
밀도: 1.094 g/mL · 1.094 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.449(lit.)
인화점: 163 °F · 163 °F
물리적 상태: 액체
색상: 무색투명~연황색
Specific Gravity: 1.094 · 1.094
BRN: 104617 · 104617
InChI: 1S/C7H13ClO2/c1-7(3-2-4-8)9-5-6-10-7/h2-6H2,1H3
InChIKey: OFERIRWCHSOJJT-UHFFFAOYSA-N
SMILES: CC1(CCCCl)OCCO1

화학적 성질

clear colourless to light yellow liquid

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Regulatory Information1,3-Dioxolane, 2-(3-chloropropyl)-2-methyl-: 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 CategoriesNot Classified