Basic information
- CAS
4771-07-7- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1- InChIKey
AITINBWGCGZTNE-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- N-(2-Methyl-5-nitrophenyl)benzamide
- IUPAC
- N-(2-methyl-5-nitrophenyl)benzamide
- English name
- 2'-METHYL-5'-NITROBENZANILIDE
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
N-(2-Methyl-5-nitrophenyl)benzamide4771-07-7MFCD00430481N-(2-methyl-5-nitro-phenyl)benzamideNSC1096082-Benzamido-4-nitrotolueneOprea1_046701Oprea1_711516MLS000710854SCHEMBL6396133CHEMBL1586942DTXSID50296491
Show more names
2'-METHYL-5'-NITROBENZANILIDEBenzamide, N-(2-methyl-5-nitrophenyl)-
AITINBWGCGZTNE-UHFFFAOYSA-NHMS2656P09AR2501STK048536AKOS000673399NSC-109608N-(2-Methyl-5-nitrophenyl)benzamide #AS-45372
Database identifiers
- CAS
4771-07-7- PubChem CID
- 269062
- DTXSID
DTXSID50296491- ChEMBL
CHEMBL1586942- EC Number
- 169-373-6
- Nikkaji
- J30.936B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Experimental & physicochemical properties
Solubility8.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 330.1 · 330.1±35.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- 12.6 · 12.60±0.70(Predicted)
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers4 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
南京椒宁医药科技有限公司025-52388076 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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