Diethyl (Bromomethyl) Phosphonate

CAT: 0127-OR1027766-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027766-01Size:100 mg

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CAS Number

66197-72-6

Synonyms

1-[bromomethyl (ethoxy) phosphoryl]oxyethane

Purity

98%

Smiles

CCOP(=O)(CBr)OCC

Chemical Information

Diethyl (bromomethyl)phosphonate

CAS Number	66197-72-6
PubChem CID	533734
IUPAC Name	1-[bromomethyl(ethoxy)phosphoryl]oxyethane
Molecular Formula	C5H12BrO3P
Molecular Weight	231.02
XLogP	1.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	118

SMILES

CCOP(=O)(CBr)OCC

InChI

InChI=1S/C5H12BrO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3

InChIKey

DOXOAUCOLUGCQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66197-72-6

CID: 533734

Formula: C5H12BrO3P

MW: 231.02

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.02
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	229.97074
Monoisotopic Mass	229.97074
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	118
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
OR1047491-01	Diethyl (4- (bromomethyl) benzyl) phosphonate
OR10692-01	Diethyl (2-bromoethyl) phosphonate
OR10723-01	Diethyl (methylthiomethyl) phosphonate
OR1079369-01	Diethyl (Ethoxymethyl) phosphonate
OR1101419-01	Diethyl (Mercaptomethyl) Phosphonate
OR10729	Diethyl (phenylthiomethyl) phosphonate
OR10701-01	Diethyl (chloromethyl) phosphonate
OR59465-01	Diethyl (methoxycarbonylmethyl) phosphonate
OR1079368-01	Diethyl (Methoxymethyl) phosphonate
OR10715-01	Diethyl (hydroxymethyl) phosphonate

Catalog	Name
IGA42159-01	Diethyl (chlorocarbonyl) phosphonate
TYD-00358	Diethyl (cyanomethyl) phosphonate
273044-01	Diethyl (bromodifluoromethyl) phosphonate
sc-294317	Diethyl (Methoxymethyl) phosphonate
sc-234632	Diethyl (ethylthiomethyl) phosphonate
sc-255095	Diethyl cyclopropylmethyl phosphonate
sc-234633	Diethyl (hydroxymethyl) phosphonate
CDA67910-01	Diethyl (carbamothioylmethyl) phosphonate
274461-01	Diethyl (Trichloromethyl) phosphonate
TRC-D444741-25MG	Diethyl Phosphonate-d10