Itaconyl chloride

CAT: 0127-OR1004199-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1004199-01Size:100 mg

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CAS Number

1931-60-8

MDL Number

MFCD00000715

Purity

90%

Smiles

ClC(=O)CC(=C)C(Cl)=O

Chemical Information

2,2-Methylenesuccinyl dichloride

CAS Number	1931-60-8
PubChem CID	74731
IUPAC Name	2-methylidenebutanedioyl dichloride
Molecular Formula	C5H4Cl2O2
Molecular Weight	166.99
XLogP	1.8
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	162

SMILES

C=C(CC(=O)Cl)C(=O)Cl

InChI

InChI=1S/C5H4Cl2O2/c1-3(5(7)9)2-4(6)8/h1-2H2

InChIKey

CGCRIQNPIBHVCQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1931-60-8

CID: 74731

Formula: C5H4Cl2O2

MW: 166.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.99
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	165.9588348
Monoisotopic Mass	165.9588348
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	162
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

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Catalog	Name
I11570-01	Itaconyl chloride
WT9030-01	U-Blot® Pan-Itaconyl-Cysteine Rabbit pAb
WT9031-01	U-Blot® Pan-Itaconyl-Cysteine Rabbit mAb
WT9031M-01	U-Blot® Itaconyl-Cysteine MultiPTM Rabbit Monoclonal Antibody mix
189775-01	Phenyl Methanesulphonyl Chloride (α-Toluenesulphonyl Chloride; Phenylmethylsulphonyl Chloride)
HY-W012954S-01	TMA chloride-d12 (chloride)
3125490	Tin chloride (stannous chloride)
3121645	Cobalt chloride (Cobaltous chloride)
3125225	Stannous chloride (tin chloride)
3123430	Manganous chloride (Manganese chloride)