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Diethyl [dibromo(fluoro)methyl]phosphonate

HCID 2736883
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
65094-25-9
Standard SMILES
CCOP(=O)(OCC)C(F)(Br)Br
InChIKey
YHSLFRSDIFMOBR-UHFFFAOYSA-N
Molecular formula
C5H10Br2FO3P
Average molar mass
327.91 g/mol
Monoisotopic mass
325.87183

Names & identifiers

Preferred name
Diethyl [dibromo(fluoro)methyl]phosphonate
IUPAC
1-[[dibromo(fluoro)methyl]-ethoxyphosphoryl]oxyethane
English name
Diethyl (dibromofluoromethyl)phosphonate, 98
Molecular formula
C5H10Br2FO3P
Molecular weight
327.91

Names & synonyms

Diethyl [dibromo(fluoro)methyl]phosphonateDTXSID50371676Diethyl (dibromo(fluoro)methyl)phosphonateRefChem:587187DTXCID60322710641-153-965094-25-91-[[dibromo(fluoro)methyl]-ethoxyphosphoryl]oxyethaneDIETHYL (DIBROMOFLUOROMETHYL)PHOSPHONATE, 98Diethyl (dibromofluoromethyl)phosphonateSCHEMBL4757795Diethyl[dibromo(fluoro)methyl]phosphonate
Show more names
Phosphonic acid, P-(dibromofluoromethyl)-, diethyl ester
DB-208484(Dibromo-fluoro-methyl)-phosphonic acid diethyl ester

Database identifiers

CAS
65094-25-9
PubChem CID
2736883
DTXSID
DTXSID50371676
EC Number
641-153-9
Nikkaji
J582.258K

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
12
Formal charge
0
Complexity
178

Experimental & physicochemical properties

SpringerMaterials Properties31P nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point
212 °C · 212 °C(lit.)
Density
1.756 g/mL · 1.756 g/mL at 25 °C(lit.)
Flash point
217 °F · 217 °F
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
WGK Germany
3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers1 total

北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes