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Benzyl diethyl phosphite

HCID 76006
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
2768-31-2
Standard SMILES
CCOP(OCC)OCc1ccccc1
InChIKey
ATRSPWZERUQFPN-UHFFFAOYSA-N
Molecular formula
C11H17O3P
Average molar mass
228.22 g/mol
Monoisotopic mass
228.0915314

Names & identifiers

Preferred name
Benzyl diethyl phosphite
IUPAC
benzyl diethyl phosphite
English name
Benzyl diethyl phosphite
Molecular formula
C11H17O3P
Molecular weight
228.22

Names & synonyms

Benzyl diethyl phosphite2768-31-2benzyl diethyl phophiteEINECS 220-452-4phosphorous acid, diethyl phenylmethyl esterDTXSID50182042NSC 143970BenzyldiethylphosphitRefChem:118865DTXCID60104533220-452-4InChI=1/C11H17O3P/c1-3-12-15(13-4-2)14-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H
Show more names
diethyl phenylmethyl phosphitePhosphorous acid benzyldiethyl esterPhosphorous acid benzyl=diethyl ester
RJS7Y794LCNSC-143970UNII-RJS7Y794LCSCHEMBL1450921NSC143970AKOS015889536Phosphorous acid, benzyl diethyl esterDB-047261

Database identifiers

CAS
2768-31-2
PubChem CID
76006
DTXSID
DTXSID50182042
UNII
RJS7Y794LC
EC Number
220-452-4
Nikkaji
J299.224H

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
15
Formal charge
0
Complexity
143

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Phosphite Compounds
Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Boiling point
110 °C2 · 110 °C2 mm Hg(lit.)
Density
1.076 g/mL · 1.076 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.493(lit.)
Flash point
230 °F · >230 °F
FDA UNII
7 Y794LC · RJS7Y794LC
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes
Xi
Risk Statements
36 · 36/37/38

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See Triethyl phosphite and Triphenyl phosphite.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-37/39
Hazard statements
H315-H319-H335
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Upstream & downstream products

Downstream products

Diethyl (trichloromethyl)phosphonate

Suppliers3 total

上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]

Related reactions

2 records
New reaction record
HRID 701833 reaction equation
HRID 701833As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1833964 reaction equation
HRID 1833964As reactantuspto-grants-1978_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Safety Statements
26 · 26-37/39
WGK Germany
3 · 3