Basic information
- CAS
5994-41-2- Standard SMILES
O=P(O)(O)C(Cl)(Cl)Cl- InChIKey
NWEPJDPAVFDLBY-UHFFFAOYSA-N- Molecular formula
- CH2Cl3O3P
- Average molar mass
- 199.35 g/mol
- Monoisotopic mass
- 197.880714
Names & identifiers
- Preferred name
- (Trichloromethyl)phosphonic acid
- IUPAC
- trichloromethylphosphonic acid
- English name
- (trichloromethyl)phosphonic acid
- Molecular formula
- CH2Cl3O3P
- Molecular weight
- 199.36
Names & synonyms
(Trichloromethyl)phosphonic acid5994-41-2EINECS 227-821-9DTXSID10208651P-(Trichloromethyl)phosphonic acidNSC 43780NSC 203388RefChem:408549DTXCID60131142227-821-9trichloromethylphosphonic acidP4J99M5X4M
Show more names
Phosphonic acid,P-(trichloromethyl)
Phosphonic acid, (trichloromethyl)-NSC-43780NSC-203388UNII-P4J99M5X4MSCHEMBL2803768methylphosphonic acid, trichloro-NWEPJDPAVFDLBY-UHFFFAOYSA-NNSC43780
Database identifiers
- CAS
5994-41-2- PubChem CID
- 80089
- DTXSID
DTXSID10208651- UNII
- P4J99M5X4M
- EC Number
- 227-821-9
- Nikkaji
- J135.742E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 121
Physicochemical properties
- Melting point
- 85 · 85-87 °C
- Boiling point
- 304.7 · 304.7±47.0 °C(Predicted)
- Density
- 2.025 · 2.025±0.06 g/cm3(Predicted)
- pka
- 1 · pK1:1.63;pK2:4.81 (25°C)
- FDA UNII
- 4 J99M5X4M · P4J99M5X4M
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
洛阳佳得康化工科技有限公司16668001218 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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