Carbamic acid, N-(4-cyanophenyl)-, phenyl ester
Basic information
- CAS
71130-54-6- Standard SMILES
N#Cc1ccc(NC(=O)Oc2ccccc2)cc1- InChIKey
BXXVRXJSDVTMJN-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- Carbamic acid, N-(4-cyanophenyl)-, phenyl ester
- IUPAC
- phenyl N-(4-cyanophenyl)carbamate
- English name
- Phenyl-N-(4-cyanophenyl)carbamate
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238.24
Names & synonyms
phenyl N-(4-cyanophenyl)carbamate71130-54-6Phenyl (4-cyanophenyl)carbamatePhenyl p-cyanophenylcarbamatePhenyl (p-cyanophenyl)carbamate(4-Cyanophenyl)carbamic acid, phenyl esterEINECS 275-212-1Phenyl N-(para-cyanophenyl)carbamateCarbamic acid, (4-cyanophenyl)-, phenyl esterCarbamic acid, N-(4-cyanophenyl)-, phenyl esterDTXSID2072251RefChem:574017
Show more names
(4-Cyanophenyl)-carbamicacidphenylesterN-(p-Cyanophenyl)carbamic acid phenyl ester
DTXCID8046907275-212-1PHENYL-N-(4-CYANOPHENYL)CARBAMATEphenyl(4-cyanophenyl)carbamateH9KF4UMF5Tphenyl 4-cyanophenylcarbamateSCHEMBL10393667BXXVRXJSDVTMJN-UHFFFAOYSA-N
Database identifiers
- CAS
71130-54-6- PubChem CID
- 117019
- DTXSID
DTXSID2072251- UNII
- H9KF4UMF5T
- EC Number
- 275-212-1
- Nikkaji
- J86.528A
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
- Boiling point
- 384.6 · 384.6±34.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12 · 12.00±0.70(Predicted)
- EPA Substance Registry System
- Phenyl p-cyanophenylcarbamate (71130-54-6)
- TSCA
- TSCA listed
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%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbamic acid, N-(4-cyanophenyl)-, phenyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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