3-Chloro-1,1-diethoxypropane (HCID 96217)

이름 및 식별자

우선 이름: 3-Chloro-1,1-diethoxypropane
IUPAC: 3-chloro-1,1-diethoxypropane
영어명: 3-Chloropropionaldehyde diethylacetal
분자식: C7H15ClO2
분자량: 166.65

이름 및 동의어

3-Chloro-1,1-diethoxypropane35573-93-4Propane, 3-chloro-1,1-diethoxy-EINECS 252-623-4NSC 60136.beta.-Chloropropionaldehyde diethyl acetalDTXSID20189048beta-Chloropropionaldehyde diethyl acetalPropionaldehyde, 3-chloro-, diethyl acetalRefChem:93358DTXCID50111539252-623-4

이름 더 보기

oroprionaLdehyde DiethyL(stabilized with CaCO3)3,3-Diethoxypropyl chloride3-chloro-1,1-diethoxy-propanβ-Chloropropanal Diethyl Acetal

InChI=1/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2HNXHONHDWVLPPCS-UHFFFAOYSA-N3-Chloropropionaldehyde diethyl acetal3-Chloropropionaldehyde diethylacetalMFCD000009943-Chloropropionaldehydediethylacetal3-chloro-1,1-diethoxy-propane1-Chloro-3,3-diethoxypropane

데이터베이스 식별자

CAS: 35573-93-4
PubChem CID: 96217
DTXSID: DTXSID20189048
UNII: UD3QX8C2FY
EC Number: 252-623-4
Nikkaji: J260.651H

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 10
형식 전하: 0
복잡도: 62.6

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Ethers

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

끓는 점: 84 °C25 · 84 °C25 mm Hg(lit.)
밀도: 0.995 g/mL · 0.995 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.42(lit.)
인화점: 98 °F · 98 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(가용성), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색~황백색
BRN: 1698609 · 1698609
InChI: InChI=1S/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3
InChIKey: NXHONHDWVLPPCS-UHFFFAOYSA-N
SMILES: C(OCC)(OCC)CCCl
NIST: «beta»-Chloropropionaldehyde diethyl acetal(35573-93-4)

화학적 성질

clear colourless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (98%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Chloro-1,1-diethoxypropane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (98%)

안전 데이터

wgk: 3
ridadr: UN 1989 3/PG 3
HS 번호: 29091990
risk_code: 10-36/37/38
hazard_code: Xi,F
safety_code: 26-36-16
포장분류: III
위험 등급: 3
F 고인화성물질: 10-21
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도3-Chloropropionaldehyde diethylacetal has been used in the synthesis of:N-[4-[[3-(2, 4-diamino-1,6-dihydro-6-oxo-5-pyrimidinyl)propyl]amino]benzoyl]-L-glutamic acid, an acyclic analog of 5,6,7,8-tetrahydrofolic acid1-(D,L)-(3′-amino, 3′-carboxypropyl)uracil, nucleoamino acid7-methoxychromanonegrignard reagent