N-Phenyl-benzimidic acid phenyl ester
Basic information
- CAS
15940-86-0- Standard SMILES
c1ccc(N=C(Oc2ccccc2)c2ccccc2)cc1- InChIKey
TYLYJDCHOAMDJM-UHFFFAOYSA-N- Molecular formula
- C19H15NO
- Average molar mass
- 273.3 g/mol
- Monoisotopic mass
- 273.1153641
Names & identifiers
- Preferred name
- N-Phenyl-benzimidic acid phenyl ester
- IUPAC
- phenyl N-phenylbenzenecarboximidate
- English name
- N-Phenylbenzimidic acid phenyl ester
- Molecular formula
- C19H15NO
- Molecular weight
- 273.33
Names & synonyms
N-PHENYL-BENZIMIDIC ACID PHENYL ESTERRefChem:830952666-870-4phenyl N-phenylbenzenecarboximidate15940-86-0Benzenecarboximidic acid, N-phenyl-, phenyl esterBenzimidic acid, N-phenyl-, phenyl esterPhenyl-N-phenylbenzimidatSCHEMBL11567051SCHEMBL26857239DTXSID00345105TYLYJDCHOAMDJM-FMQUCBEESA-N
Show more names
N-Phenylbenzimidic acid phenyl ester
Phenyl N-phenylbenzenecarboximidoateSTL573172AKOS022162140Phenyl N-phenylbenzenecarboximidoate #DB-418716
Database identifiers
- CAS
15940-86-0- PubChem CID
- 601897
- DTXSID
DTXSID00345105- EC Number
- 666-870-4
- Nikkaji
- J140.404K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 105 °C · 105 °C
- Boiling point
- 403.4 · 403.4±28.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 1.23 · 1.23±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H317-H410
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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Related reactions
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Compound notes
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