Diethy 4-bromobenzylphosphonate

Catalog Number	ACM38186515-1
CAS	38186-51-5
Structure
Synonyms	(4-Bromobenzyl)phosphonic Acid Diethyl Ester
IUPAC Name	1-bromo-4-(diethoxyphosphorylmethyl)benzene
Molecular Weight	307.12
Molecular Formula	C11H16BrO3P
InChI	IPTXXSZUISGKCJ-UHFFFAOYSA-N
InChI Key	InChI=1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3
Boiling Point	143-144 °C at 12 mmHg(lit.)
Flash Point	192 °F
Purity	98%
Density	1.111 g/mL at 25 °C(lit.)
Appearance	Liquid
Isomeric SMILES	CCOP(=O)(CC1=CC=C(C=C1)Br)OCC

Q&A

What is the CAS number of Diethyl 4-bromobenzylphosphonate?

The CAS number is 38186-51-5.

What is the molecular formula of Diethyl 4-bromobenzylphosphonate?

The molecular formula is C11H16BrO3P.

How many hydrogen bond acceptors does Diethyl 4-bromobenzylphosphonate have?

It has 3 hydrogen bond acceptors.

What is the exact mass of Diethyl 4-bromobenzylphosphonate?

The exact mass is 306.00204.

What is the IUPAC name of Diethyl 4-bromobenzylphosphonate?

The IUPAC name is 1-bromo-4-(diethoxyphosphorylmethyl)benzene.

How many heavy atoms does Diethyl 4-bromobenzylphosphonate contain?

It contains 16 heavy atoms.

What is the Canonical SMILES representation of Diethyl 4-bromobenzylphosphonate?

CCOP(=O)(CC1=CC=C(C=C1)Br)OCC

What is the molecular weight of Diethyl 4-bromobenzylphosphonate?

The molecular weight is 307.12g/mol.

What is the InChIKey of Diethyl 4-bromobenzylphosphonate?

The InChIKey is IPTXXSZUISGKCJ-UHFFFAOYSA-N.

Provide three synonyms for Diethyl 4-bromobenzylphosphonate.

Three synonyms are Diethyl (4-Bromobenzyl)phosphonate, Diethy 4-bromobenzylphosphonate, and Diethyl p-bromobenzylphosphonate.