클로로메틸-1,3-디옥소란

2-(Chloromethyl)-1,3-dioxolane

HCID 75727CAS 2568-30-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: ClCC1OCCO1
InChIKey: IKZOMJGRWIOEDP-UHFFFAOYSA-N
분자식: C4H7ClO2
평균 분자량: 122.55 g/mol
단동위원소 질량: 122.01345714

이름 및 식별자

우선 이름: 2-(Chloromethyl)-1,3-dioxolane
IUPAC: 2-(chloromethyl)-1,3-dioxolane
현지명: 클로로메틸-1,3-디옥소란
영어명: 2-Chloromethyl-1,3-dioxolane
분자식: C4H7ClO2
분자량: 122.55

이름 및 동의어

2-(Chloromethyl)-1,3-dioxolane1,3-Dioxolane, 2-(chloromethyl)-2-(Chloromethyl)-m-dioxaneEINECS 219-908-5NSC 319115AI3-08042DTXSID8038809IKZOMJGRWIOEDP-UHFFFAOYSA-RefChem:84620DTXCID6018809219-908-5IKZOMJGRWIOEDP-UHFFFAOYSA-N

이름 더 보기

클로로메틸-1,3-디옥소란2-클로로메틸-1,3-다이옥솔레인2-클로로메틸-1,3-디옥솔란AKOS BBS-00003852RARECHEM AL BP 01392-(chloromethyl)-3-dioxolane1,3-Dioxolane,2-(chloromethyl)2-Chloromethyl-1,3-dioxolane >2-CHLOROMETHYL-1,3-DIOXOLANE 96+%2-Chloroacetaldehydeethyleneacetal

InChI=1/C4H7ClO2/c5-3-4-6-1-2-7-4/h4H,1-3H22-Chloromethyl-1,3-dioxolane2568-30-1Chloroacetaldehyde ethylene acetalMFCD00043402Doxofylline Impurity 232-Chloromethyl-[1,3]-dioxolaneNSC-319115

데이터베이스 식별자

CAS: 2568-30-1
PubChem CID: 75727
DTXSID: DTXSID8038809
UNII: QR6QTL89KS
EC Number: 219-908-5
Nikkaji: J101.106E

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 51.7

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 157 · 157-158 °C(lit.)
밀도: 1.234 g/mL · 1.234 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.449(lit.)
인화점: 140 °F · 140 °F
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 103229 · 103229
InChI: InChI=1S/C4H7ClO2/c5-3-4-6-1-2-7-4/h4H,1-3H2
InChIKey: IKZOMJGRWIOEDP-UHFFFAOYSA-N
SMILES: O1CCOC1CCl
NIST: 1 · 1,3-Dioxolane, 2-(chloromethyl)-(2568-30-1)
EPA: 1 · 1,3-Dioxolane, 2-(chloromethyl)- (2568-30-1)

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.