Diethyl (3-bromopropyl) phosphonate

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CAS Number

1186-10-3

HS Code

2931900090

Stability

Sealed in dry, Room Temperature

Molecular Formula

C7H16BrO3P

Molecular Weight

259.08

Product Name Synonym

(3-Bromopropyl) phosphonic Acid Diethyl Ester

Physical Properties

Colorless to Light yellow liquid

Safety Statements

S26; S36/37/39

Density

1.348 g/mL at 25 °C (lit.)

Flash Point

>230 °F

Chemical Information

Diethyl (3-bromopropyl)phosphonate

Diethyl 3-Bromopropylphosphonate is a phosphonic ester.

CAS Number	1186-10-3
PubChem CID	283500
IUPAC Name	1-bromo-3-diethoxyphosphorylpropane
Molecular Formula	C7H16BrO3P
Molecular Weight	259.08
XLogP	1.3
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	12
Formal Charge	0
Complexity	142

SMILES

CCOP(=O)(CCCBr)OCC

InChI

InChI=1S/C7H16BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-7H2,1-2H3

InChIKey

PEIKTSJIUKYDPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1186-10-3

CID: 283500

Formula: C7H16BrO3P

MW: 259.08

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	259.08
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	258.00204
Monoisotopic Mass	258.00204
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	142
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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JH915832	11- (3-bromopropyl) tricosane
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JH184902	3-Cyanopropionaldehyde Diethyl Acetal
JH744536	Diethyl isopropylidenemalonate
JH288838	Diethyl methylsulfonylmethylphosphonate
JH654258	Diethyl octanedioate
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Alternative Products

Catalog	Name
90028932	Diethyl (3-bromopropyl) phosphonate
sc-294313	Diethyl (3-Chlorobenzyl) phosphonate
sc-485985	Diethyl (3-Methoxybenzyl) phosphonate
DAA98695-01	Diethyl (3-oxopropyl) phosphonate
OR1060102-01	Diethyl (3-aminopropyl) phosphonate
sc-485989	Diethyl (3-Methylbenzyl) phosphonate
OR10716-01	Diethyl (3-hydroxyphenyl) phosphonate
OR10711-01	Diethyl[3- (ethoxycarbonyl) propyl]phosphonate
OR312009	Diethyl (oxetan-3-ylidenemethyl) phosphonate
JFA15079-01	Diethyl (azetidin-3-yl) phosphonate

Diethyl (3-bromopropyl) phosphonate

Chemical Information

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