P-(4-Aminophenyl)phosphonic acid
Basic information
- CAS
5337-17-7- Standard SMILES
Nc1ccc(P(=O)(O)O)cc1- InChIKey
OAOBMEMWHJWPNA-UHFFFAOYSA-N- Molecular formula
- C6H8NO3P
- Average molar mass
- 173.11 g/mol
- Monoisotopic mass
- 173.02418011
Overview
structure
Names & identifiers
- Preferred name
- P-(4-Aminophenyl)phosphonic acid
- IUPAC
- (4-aminophenyl)phosphonic acid
- English name
- (4-aminophenyl)phosphonic acid
- Molecular formula
- C6H8NO3P
- Molecular weight
- 173.11
Names & synonyms
5337-17-7Phosphanilic acidPhosphonic acid, (4-aminophenyl)-4-aminophenylphosphonic acid4-aminobenzenephosphonic acid5WCV1BQ6M2NSC-55744DTXSID20201532NSC-417p-aminophenylphosphonic acidRefChem:861902DTXCID50124023
Show more names
Organicamine esteraniline-4-phosphonic acid(4-aminophenyl)phosphonicaciPhosphonic acid, P-(4-aMinophenyl)-
P-(4-Aminophenyl)phosphonic acid226-260-7(4-Aminophenyl)phosphonic acid4-Phosphonoaniline(p-Aminophenyl)phosphonic acidEINECS 226-260-7MFCD00010580BRN 0388231
Database identifiers
- CAS
5337-17-7- PubChem CID
- 53590
- DTXSID
DTXSID20201532- UNII
- 5WCV1BQ6M2
- EC Number
- 226-260-7
- Nikkaji
- J217.900H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 245 °C · 245°C(lit.)
- Boiling point
- 205 · 205-208 °C(Press: 1 Torr)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- form
- powder to crystal
- pka
- 3 · pK3: 7.53 (25°C)
- color
- White to Light yellow
- λmax
- 269 nm · 269nm(HCl aq.)(lit.)
- FDA UNII
- 5 WCV1BQ6M2 · 5WCV1BQ6M2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2931.9 · 2931.90.6000
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 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Safety data
- hs_code
- 2931.90.6000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
1 records
Compound notes
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