Diethyl (2-bromoethyl)phosphonate

HCID 79218
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Basic information

CAS
5324-30-1
Standard SMILES
CCOP(=O)(CCBr)OCC
InChIKey
PINITSMLVXAASM-UHFFFAOYSA-N
Molecular formula
C6H14BrO3P
Average molar mass
245.05 g/mol
Monoisotopic mass
243.98639304

Names & identifiers

Preferred name
Diethyl (2-bromoethyl)phosphonate
IUPAC
1-bromo-2-diethoxyphosphorylethane
English name
DIETHYL 2-BROMOETHYLPHOSPHONATE
Molecular formula
C6H14BrO3P
Molecular weight
245.05

Names & synonyms

5324-30-1Diethyl (2-bromoethyl)phosphonateEINECS 226-193-3DTXSID00201333NSC 2672NSC 119421RefChem:587005DTXCID00123824226-193-3Diethyl 2-bromoethylphosphonate1-bromo-2-diethoxyphosphorylethane(2-Bromoethyl)phosphonic acid diethyl ester
Show more names
DIETHYL 2-BROMOETHYLPHOSPHOTEDIETHYL 2-BROMOETHANEPHOSPHONATEDiethyl2-bromoethylphosphonate,97%Diethyl 2-Bromoethylphosphonate >Diethyl P-(2-bromoethyl)phosphonate
MFCD00000239Phosphonic acid, (2-bromoethyl)-, diethyl ester2-Bromoethylphosphonic Acid Diethyl EsterO,O-Diethyl (2-bromoethyl)phosphonatediethyl bromoethylphosphonateNSC119421NSC-119421diethyl(2-bromoethyl)phosphonate

Database identifiers

CAS
5324-30-1
PubChem CID
79218
DTXSID
DTXSID00201333
EC Number
226-193-3
Nikkaji
J236.439E

Properties

Computed structural properties

XLogP
1
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
11

Physicochemical properties

Boiling point
75 °C/1 · 75 °C/1 mmHg (lit.)
Density
1.348 g/mL · 1.348 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.461(lit.)
Flash point
230 °F · >230 °F
storage temp.
Inert atmosphere,Room Temperature
form
Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk
3
hs_code
29319090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 1 item

UsesIt is employed as a reactant involved in radical coupling, synthesis of organosoluble zirconium phosphonate nanocomposites, click-chemistry, asymmetric epoxidation of unfunctionalized olefins, Negishi alkyl-aryl cross-coupling, and in synthesis of hydrolytically stable phosphonic acids for use as dental adhesives.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

Related reactions

22 records
New reaction record

Compound notes

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