Epichlorohydrin Impurity 3

CAT: 1596-AR-E10021-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E10021-06Size:250 Units

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CAS Number

96-18-4

Molecular Formula

C3H5Cl3

Molecular Weight

147.42

API Name

Epichlorohydrin

Chemical Information

1,2,3-Trichloropropane

1,2,3-Trichloropropane can cause cancer according to The National Toxicology Program.

CAS Number	96-18-4
PubChem CID	7285
IUPAC Name	1,2,3-trichloropropane
Molecular Formula	C3H5Cl3
Molecular Weight	147.43
XLogP	1.8
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	6
Formal Charge	0
Complexity	25

SMILES

C(C(CCl)Cl)Cl

InChI

InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2

InChIKey

CFXQEHVMCRXUSD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96-18-4

CID: 7285

Formula: C3H5Cl3

MW: 147.43

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.43
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	145.945683
Monoisotopic Mass	145.945683
Topological Polar Surface Area	0 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	25.2
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-E10024-01	Epichlorohydrin Impurity 7
AR-E10023-01	Epichlorohydrin Impurity 6
AR-E10022-01	Epichlorohydrin Impurity 5
AR-E10020-01	Epichlorohydrin Impurity 1
AR-E10026-01	Epichlorohydrin Impurity 8
AR-E10025-01	Epichlorohydrin Impurity 4-d5
AR-E01479-01	Epichlorohydrin
AR-E08858-01	(R) -Epichlorohydrin
AR-E10027-01	Epichlorohydrin-d5
AR-N01599-01	Nintedanib Impurity 3 (Intedanib Impurity 3)