4-(((Phenylamino)carbonyl)oxy)benzonitrile
Basic information
- CAS
37070-85-2- Standard SMILES
N#Cc1ccc(OC(=O)Nc2ccccc2)cc1- InChIKey
HCNDKZNEGZASFO-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- 4-(((Phenylamino)carbonyl)oxy)benzonitrile
- IUPAC
- (4-cyanophenyl) N-phenylcarbamate
- English name
- 4-Cyanophenyl N-phenylcarbamate
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238.24
Names & synonyms
4-cyanophenyl N-phenylcarbamate4-(((PHENYLAMINO)CARBONYL)OXY)BENZONITRILE37070-85-2DTXSID50190566RefChem:508686DTXCID90113057667-352-04-CYANOPHENYL PHENYLCARBAMATECHEMBL2288447SCHEMBL10393666AKOS0225068494-phenylcarbamoyloxy-benzonitrile
Show more names
Benzonitrile, 4-[[(phenylamino)carbonyl]oxy]-
Database identifiers
- CAS
37070-85-2- PubChem CID
- 37616
- DTXSID
DTXSID50190566- ChEMBL
CHEMBL2288447- EC Number
- 667-352-0
- Nikkaji
- J1.618.632E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 389.1 · 389.1±34.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.67 · 12.67±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H302-H317
- 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 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H302-H317
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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