Diethyl 3-bromobenzylphosphonate - CAS 128833-03-4

Catalog:	BB006939
Product Name:	Diethyl 3-bromobenzylphosphonate
CAS:	128833-03-4
Synonyms:	1-bromo-3-(diethoxyphosphorylmethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-3-(diethoxyphosphorylmethyl)benzene
Description:	Diethyl 3-Bromobenzylphosphonate acts as a regent in the conversion of benzylic and allylic alcohols to phosphonates.
Molecular Weight:	307.12
Molecular Formula:	C11H16BrO3P
Canonical SMILES:	CCOP(=O)(CC1=CC(=CC=C1)Br)OCC
InChI:	InChI=1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChI Key:	KVNNRCDDRDXWIW-UHFFFAOYSA-N
Boiling Point:	376.023 °C at 760 mmHg
Purity:	95 %
Density:	1.366 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	4.21520

Publication Number	Title	Priority Date
CN-104341265-A	Novel 1,2-benzophenanthrene derivative as well as preparation method and application thereof	20140911
AU-2014403362-A1	Crosslinkable proppant particulates for use in subterranean formation operations	20140815
AU-2014403362-B2	Crosslinkable proppant particulates for use in subterranean formation operations	20140815
CA-2954266-A1	Crosslinkable proppant particulates for use in subterranean formation operations	20140815
CA-2954266-C	Crosslinkable proppant particulates for use in subterranean formation operations	20140815

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Related Functional Groups

Phosphorus Compounds

[52378-69-5]
Diethyl trans-cinnamylphosphonate
[17919-31-2]
[4-[4-(Phosphonomethyl)phenyl]phenyl]methylphosphonic acid
[4671-77-6]
1,4-Butanediphosphonic acid
[169689-05-8]
1S,2S-DHAC-Phenyl Trost Ligand
[194931-67-4]
DIETHYL METHYLENEBISPHOSPHONATE-P,P'-DILITHIUM SALT
[3366-72-1]
P-TOLYL-PHOSPHONIC ACID

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	306.00204
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	306.00204
Rotatable Bond Count:	6
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4