3-(Diethylphosphoryl)aniline
Basic information
- CAS
55039-16-2- Standard SMILES
CCP(=O)(CC)c1cccc(N)c1- InChIKey
CTRVJASKVTVHKB-UHFFFAOYSA-N- Molecular formula
- C10H16NOP
- Average molar mass
- 197.21 g/mol
- Monoisotopic mass
- 197.09695113
Names & identifiers
- Preferred name
- 3-(Diethylphosphoryl)aniline
- IUPAC
- 3-diethylphosphorylaniline
Names & synonyms
55039-16-23-(diethylphosphoryl)anilineRefChem:494835843-958-23-diethylphosphorylaniline3-(DIETHYLPHOSPHINYL)BENZENAMINE(3-Aminophenyl)diethylphosphine oxideSMR000046377MLS000080942CHEMBL1609113HMS2291G08FCA03916
Show more names
G75868EN300-7354163F553495
Database identifiers
- CAS
55039-16-2- PubChem CID
- 665247
- ChEMBL
CHEMBL1609113- EC Number
- 843-958-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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