Basic information
- Standard SMILES
CCOP(Cl)OCC- InChIKey
TXHWYSOQHNMOOU-UHFFFAOYSA-N- Molecular formula
- C4H10ClO2P
- Average molar mass
- 156.55 g/mol
- Monoisotopic mass
- 156.01069387
Names & identifiers
- Preferred name
- Ethyl phosphorochloridite
- IUPAC
- chloro(diethoxy)phosphane
- English name
- DIETHYL CHLOROPHOSPHITE
- Molecular formula
- C4H10ClO2P
- Molecular weight
- 156.55
Names & synonyms
Show more names
Database identifiers
- CAS
589-57-1- PubChem CID
- 68530
- DTXSID
DTXSID0060430- UNII
- F414S3V8K6
- EC Number
- 209-652-2
- Nikkaji
- J6.751B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 47.3
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 153 · 153-155 °C (lit.) 56-57.5 °C/30 mmHg (lit.)
- Density
- 1.089 g/mL · 1.089 g/mL at 20 °C (lit.)
- refractive index
- 20 · n20/D 1.434(lit.)
- Flash point
- 34 °F · 34 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Liquid
- color
- Clear colorless to yellow
- Water Solubility
- Soluble in DMSO and chloroform. Reacts with water.
- Sensitive
- Moisture Sensitive
- Merck
- 14 · 14,3841
- BRN
- 1098392 · 1098392
- Stability
- Air and Moisture Sensitive
- InChI
- 1S/C4H10ClO2P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3
- InChIKey
- TXHWYSOQHNMOOU-UHFFFAOYSA-N
- SMILES
- CCOP(Cl)OCC
- CAS DataBase Reference
- 589 · 589-57-1(CAS DataBase Reference)
- FDA UNII
- 414 S3V8K6 · F414S3V8K6
- EPA Substance Registry System
- Phosphorochloridous acid, diethyl ester (589-57-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314-H335
- Precautionary statements
- 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- F,C
- Risk Statements
- 11 · 11-14-34-37
- Safety Statements
- 16 · 16-26-36/37/39-45-7/8
- RIDADR
- 2924 · UN 2924 3/PG 2
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29209085 · 29209085
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Skin · Flam. Liq. 2Skin Corr. 1BSTOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (91.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- F
- 10-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2924 3/PG 2
- hs_code
- 29209085
- risk_code
- 11-14-34-37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45-7/8
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H314-H335
- Hazard Classifications
- Flam. Liq. 2Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
UsesDiethyl chlorophosphite acts as a versatile phosphorylating agent for ester and lactone enolates, amines and alkenols. It is used in the synthesis of organophosphates and are considered anticholinesterase agents through observation in studies.
UsesDiethyl Chlorophosphite is used in the synthesis of organophosphates and are considered anticholinesterase agents through observation in studies.
UsesIn peptide synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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