2,2,2-Tribromoethyl dichlorophosphate
Basic information
- CAS
53676-22-5- Standard SMILES
O=P(Cl)(Cl)OCC(Br)(Br)Br- InChIKey
RGBNHRWLNSWPPI-UHFFFAOYSA-N- Molecular formula
- C2H2Br3Cl2O2P
- Average molar mass
- 399.62 g/mol
- Monoisotopic mass
- 395.67196
Names & identifiers
- Preferred name
- 2,2,2-Tribromoethyl dichlorophosphate
- IUPAC
- 1,1,1-tribromo-2-dichlorophosphoryloxyethane
- English name
- 2,2,2-Tribromoethyl dichlorophosphate
- Molecular formula
- C2H2Br3Cl2O2P
- Molecular weight
- 399.63
Names & synonyms
2,2,2-Tribromoethyl dichlorophosphate53676-22-5DTXSID70403584RefChem:440379DTXCID40354438622-924-91,1,1-tribromo-2-dichlorophosphoryloxyethane2,2,2-Tribromoethyl phosphorodichloridateSCHEMBL83896582,2,2-tribromoethyl-dichlorophosphateAKOS015912987DB-052378
Show more names
2,2,2-TRIBROMOETHYLPHOSPHORODICHLORIDATE2,2,2-TRIBROMOETHYL DICHLOROPHOSPHATE, 9 7%Dichloridophosphoric acid 2,2,2-tribromoethyl esterPhosphorodichloridic acid, 2,2,2-tribromoethyl ester2,2,2-Tribromoethyl dichlorophosphate,2,2,2-Tribromoethyl phosphorodichloridate
2,2,2-Tribromoethyl dichlorophosphate, 97%InChI=1/C2H2Br3Cl2O2P/c3-2(4,5)1-9-10(6,7)8/h1H(2,2,2-Tribromoethoxy)phosphonoyl dichloride; 2,2,2-Tribromoethyl dichlorophosphate; 2,2,2-Tribromoethyl phosphorodichloridate
Database identifiers
- CAS
53676-22-5- PubChem CID
- 4465631
- DTXSID
DTXSID70403584- EC Number
- 622-924-9
- Nikkaji
- J150.098H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 34 · 34-36 °C(lit.)
- Boiling point
- 90 · 90-92 °C0.4 mm Hg(lit.)
- Density
- 2.587 · 2.587±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- form
- solid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302+H312+H332-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 20 · 20/21/22-34
- Safety Statements
- 22 · 22-26-27-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- risk_code
- 20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 22-26-27-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302+H312+H332-H314
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses2,2,2-Tribromoethyl Dichlorophosphate is a reagent for the synthesis of aryl trihaloethyl dihydrogen phosphates.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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