Dichloroacetaldehyde Dimethyl Acetal

CAT: 1596-AR-A01136-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A01136-01Size:10 Units

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CAS Number

80944-06-5

Synonyms

1,1-dichloro-2,2-dimethoxyethane

Molecular Formula

C4H8Cl2O2

Molecular Weight

159.01

API Name

Acetal

Chemical Information

1,1-Dichloro-2,2-dimethoxyethane

CAS Number	80944-06-5
PubChem CID	12679182
IUPAC Name	1,1-dichloro-2,2-dimethoxyethane
Molecular Formula	C4H8Cl2O2
Molecular Weight	159.01
XLogP	1.4
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	54

SMILES

COC(C(Cl)Cl)OC

InChI

InChI=1S/C4H8Cl2O2/c1-7-4(8-2)3(5)6/h3-4H,1-2H3

InChIKey

NGVTXINFTCZHGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80944-06-5

CID: 12679182

Formula: C4H8Cl2O2

MW: 159.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.01
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	157.9901349
Monoisotopic Mass	157.9901349
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	54
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A05323-01	Dichloroacetaldehyde Hydrate
AR-B06623-01	Veratraldehyde dimethyl acetal
AR-B06625-01	2,5-Dimethoxybenzaldehyde dimethyl acetal
AR-B06624-01	3,5-Dimethoxybenzaldehyde dimethyl acetal
AR-P29419-01	N, N'-Dimethylformamide dimethyl acetal
AR-B01195-01	Benzaldehyde Dimethyl Acetal Related Compound 4
AR-B01194-01	Benzaldehyde Dimethyl Acetal Related Compound 3
AR-B06626-01	2,4,6-Trimethoxybenzaldehyde dimethyl acetal
AR-B01193-01	Benzaldehyde Dimethyl Acetal Related Compound 2
AR-B01192-01	Benzaldehyde Dimethyl Acetal Related Compound 1

Catalog	Name
TRC-D434440-1G	Dichloroacetaldehyde Dimethyl Acetal
446670-01	Dichloroacetaldehyde Diethyl Acetal
409406-01	1-Bromo-dichloroacetaldehyde Diethyl Acetal
OR1078826-01	Dimethyl Acetal
M01113-01	Malonaldehyde (ethylmethyl Acetal) (dimethyl Acetal)
FB10074-01	Benzaldehyde dimethyl acetal
380478	Hydrangenoside A dimethyl acetal
HY-W751322	α-Amylcinnamaldehyde dimethyl acetal
TRC-G616495-25ML	Glycinal Dimethyl Acetal
TRC-A673205-25G	Anisaldehyde Dimethyl Acetal