Nicotinanilide
Basic information
- CAS
1752-96-1- Standard SMILES
O=C(Nc1ccccc1)c1cccnc1- InChIKey
NYQXIOZBHWFCBU-UHFFFAOYSA-N- Molecular formula
- C12H10N2O
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.07931295
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Nicotinanilide
- IUPAC
- N-phenylpyridine-3-carboxamide
- English name
- NICOTINANILIDE
- Molecular formula
- C12H10N2O
- Molecular weight
- 198.22
Names & synonyms
N-PhenylnicotinamideNICOTINANILIDE1752-96-1DTXSID10169950RefChem:854110DTXCID6092441217-138-4N-phenylpyridine-3-carboxamide3-Pyridinecarboxamide, N-phenyl-Nicotinic AnilidePyridine-3-carboxy-anilideN-Phenyl-3-pyridinecarboxamide
Show more names
acylbenzeneamineNicotinoylanilideNicotinamide sulfateLABOTEST-BB LT00114897Nicotinanilide sulfatePyridine-3-carboxanilide3-PhenylaMinocarbonylpyridine
NSC 108206MFCD00023572AKOS001025636NSC-108206MB00323N-phenyl-3-pyridylcarboxamideSR-01000389183-10ON
Database identifiers
- CAS
1752-96-1- PubChem CID
- 74463
- DTXSID
DTXSID10169950- ChEMBL
CHEMBL454533- UNII
- 88DL247U5Q、9JD6TY68P5
- EC Number
- 217-138-4
- Nikkaji
- J102.255E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
LogP1.73
Physicochemical properties
- Melting point
- 114 · 114-118 °C(lit.)
- Boiling point
- 265.8 · 265.8±13.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 12.28 · 12.28±0.70(Predicted)
- BRN
- 142066 · 142066
- CAS DataBase Reference
- 1752 · 1752-96-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
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
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesNicotinic Anilide (cas# 1752-96-1) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
2 records
Compound notes
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