3-Chloropropionaldehyde diethylacetal - CAS 35573-93-4

Catalog:	BB022678
Product Name:	3-Chloropropionaldehyde diethylacetal
CAS:	35573-93-4
Synonyms:	3-chloro-1,1-diethoxypropane

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-1,1-diethoxypropane
Description:	3-Chloropropionaldehyde diethylacetal (CAS# 35573-93-4) is an acetal acompound with safener activity against thiocarbamate herbicides.
Molecular Weight:	166.65
Molecular Formula:	C7H15ClO2
Canonical SMILES:	CCOC(CCCl)OCC
InChI:	InChI=1S/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3
InChI Key:	NXHONHDWVLPPCS-UHFFFAOYSA-N
Boiling Point:	84 ℃ (25 mmHg)
Purity:	95 %
Density:	0.995 g/cm³
Appearance:	Clear, colorless liquid.
Storage:	2-8 ℃
MDL:	MFCD00000994
LogP:	2.01440

Publication Number	Title	Priority Date
JP-2021155726-A	Pigment dispersion	20200327
EP-3495374-A1	Simple preparation method for dialkoxypropyl methylphosphonate	20180808
US-2019284215-A1	Simple preparation method for dialkoxypropyl methylphosphonate	20180808
WO-2019034182-A1	PROCESS FOR THE SIMPLE PREPARATION OF DIALCOXYPROPYL METHYLPHOSPHONATE	20180808
CN-109134534-B	Simple preparation method of 3, 3-dialkoxy propyl methylphosphonate	20180808

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GHS Hazard Statement:	H226 (97.92%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	62.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0760574
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.0760574
Rotatable Bond Count:	6
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8