CAS 35573-93-4 3-Chloro-1,1-diethoxypropane (HCID 96217)

Names & identifiers

Preferred name: 3-Chloro-1,1-diethoxypropane
IUPAC: 3-chloro-1,1-diethoxypropane
English name: 3-Chloropropionaldehyde diethylacetal
Molecular formula: C7H15ClO2
Molecular weight: 166.65

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 10
Formal charge: 0
Complexity: 62.6

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Ethers

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 84 °C25 · 84 °C25 mm Hg(lit.)
Density: 0.995 g/mL · 0.995 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.42(lit.)
Flash point: 98 °F · 98 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform (Soluble), Ethyl Acetate (Slightly), Methanol (Slightly)
form: Oil
color: Colourless to Off-White
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
CAS DataBase Reference: 35573 · 35573-93-4(CAS DataBase Reference)
NIST Chemistry Reference: «beta»-Chloropropionaldehyde diethyl acetal(35573-93-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P370+P378
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,F
Risk Statements: 10 · 10-36/37/38
Safety Statements: 26 · 26-36-16
RIDADR: 1989 · UN 1989 3/PG 3
WGK Germany: 3 · 3
F: 10 · 10-21
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29091990 · 29091990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

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%)

Safety data

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1989 3/PG 3
hs_code: 29091990
risk_code: 10-36/37/38
Signal word: Warning
Symbol(GHS): GHS02
hazard_code: Xi,F
safety_code: 26-36-16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P370+P378

Chemistry & industry

Applications · 2 items

Uses3-Chloroprionaldehyde Diethyl Acetal is an acetal acompound with safener activity against thiocarbamate herbicides.

Uses3-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