Basic information
- CAS
101-71-3- Standard SMILES
NC(=O)Oc1ccc(Cc2ccccc2)cc1- InChIKey
ZBJBRUSGEJORQL-UHFFFAOYSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Overview
Diphenan is a diarylmethane.
Names & identifiers
- Preferred name
- Diphenan
- IUPAC
- (4-benzylphenyl) carbamate
- English name
- Diphenan
- Molecular formula
- C14H13NO2
- Molecular weight
- 227.26
Names & synonyms
DiphenanCarphenolDiphenaneParabencilCarbaurineButolanButolen101-71-3OxybulanPalafugep-Benzylphenyl carbamate4-Benzylphenyl carbamate
Show more names
Parafuge[4-(phenylmethyl)phenyl] carbamatePhenol, 4-(phenylmethyl)-, 1-carbamatecarbamic acid [4-(benzyl)phenyl] ester
difenanParabencilfenolDifenanoDiphenanumDiphenan [INN:DCF]Difenano [INN-Spanish]Diphenane [INN-French]Diphenanum [INN-Latin]
Database identifiers
- CAS
101-71-3- PubChem CID
- 7572
- DTXSID
DTXSID4046234- ChEMBL
CHEMBL608856- ChEBI
CHEBI:134933- UNII
- U129BBY8DB
- EC Number
- 622-919-1
- Nikkaji
- J4.994H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 147 · 147-150°
- Boiling point
- 368.97 °C · 368.97°C (rough estimate)
- Density
- 1.1223 · 1.1223 (rough estimate)
- refractive index
- 1.578 · 1.5780 (estimate)
- pka
- 12.96 · 12.96±0.50(Predicted)
- FDA UNII
- 129 BBY8DB · U129BBY8DB
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H400
- Precautionary statements
- 273 · P273-P391-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, 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 CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H400
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
北京百奥创新科技有限公司15522676233 · [email protected]
Additional notes
DefinitionChEBI: Diphenan is a diarylmethane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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