Basic information
- Standard SMILES
O=C(Nc1ccccc1)c1ccccc1- InChIKey
ZVSKZLHKADLHSD-UHFFFAOYSA-N- Molecular formula
- C13H11NO
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.08406397
Names & identifiers
- Preferred name
- Benzanilide
- IUPAC
- N-phenylbenzamide
- English name
- BENZANILIDE
- Molecular formula
- C13H11NO
- Molecular weight
- 197.23
Names & synonyms
BENZANILIDE93-98-1N-BenzoylanilineBenzamide, N-phenyl-Benzoic acid anilideNSC-3131AK1B12366ORefChem:561614202-292-7N-PhenylbenzamideN-Phenyl-benzamiden-benzoyl aniline
Show more names
BenzanilidBenzoylanilideENZANILIDEBENZANIIIDEBenzanilide >Benzanilide CRSBENZANILIDE 99+%
MFCD00003069NSC 3131SCHEMBL31966AI3-01046DTXSID9059096NSC3131phenyl-N-benzamideSTK036609
Database identifiers
- CAS
93-98-1- PubChem CID
- 7168
- DTXSID
DTXSID9059096- ChEMBL
CHEMBL115523- UNII
- AK1B12366O
- EC Number
- 202-292-7
- Nikkaji
- J95.755K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP2.62
Vapor Pressure0.00000201 [mmHg]
Physical DescriptionWhite to reddish solid; [Hawley] Faintly beige powder; [MSDSonline]
Ionization Efficiency
Positive
2.76
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Physicochemical properties
- Melting point
- 161 · 161-163 °C(lit.)
- Boiling point
- 117 °C10 · 117 °C10 mm Hg(lit.)
- Density
- 1 · 1,315 g/cm3
- refractive index
- 1.605 · 1.6050 (estimate)
- Flash point
- 117 °C/10mm · 117°C/10mm
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: insoluble
- pka
- 13.52 · 13.52±0.70(Predicted)
- Colour Index
- 42095 · 42095
- form
- Powder
- color
- Grayish to yellow-green
- Water Solubility
- Insoluble
- Merck
- 14 · 14,1061
- BRN
- 1102980 · 1102980
- InChI
- 1S/C13H11NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
- InChIKey
- ZVSKZLHKADLHSD-UHFFFAOYSA-N
- SMILES
- O=C(Nc1ccccc1)c2ccccc2
- CAS DataBase Reference
- 93 · 93-98-1(CAS DataBase Reference)
- FDA UNII
- 1 B12366O · AK1B12366O
- NIST Chemistry Reference
- N-Phenylbenzoic acid amide(93-98-1)
- EPA Substance Registry System
- Benzanilide (93-98-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 22 · 22-24/25-36-26
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29242990 · 29242990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzamide, N-phenyl-
Benzamide, N-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29242990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-24/25-36-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Uses & manufacturing
UsesUsed to make dyes, drugs, and perfumes; [Hawley]
General Manufacturing InformationBenzamide, N-phenyl-: ACTIVE
Applications
UsesBenzanilide is used to make dyes, active pharmaceutical ingredients and perfumes. It is also used to study the influence of beta-cyclodextrin on photorearrangement of acetanilide, benzanilide and ethyl phenyl carbonate. Further, it is used as an amide model compound to study the reaction between the amide and epoxy. In addition to this, it reacts with aryltriflates in the presence of palladium-based catalyst system to get N-(2,6-diarylbenzoyl)anilines.
Usesmanufacture of dyes and perfumes.
General DescriptionBenzanilide undergoes diarylation with aryl triflates or bromides in the presence of a palladium-based catalyst system to form corresponding N-(2,6-diarylbenzoyl)anilines. It is used in manufacture of dyes and perfumes.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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