Basic information
- CAS
97-32-5- Standard SMILES
COc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-]- InChIKey
YKOCPBMVMBUTAX-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Overview
4-methoxy-3-nitro-n-phenylbenzamide is a light tan solid. (NTP, 1992)
Names & identifiers
- Preferred name
- 4-methoxy-3-nitro-N-phenylbenzamide
- IUPAC
- 4-methoxy-3-nitro-N-phenylbenzamide
- English name
- 3-Nitro-4-methoxybenzanilide
- Molecular formula
- C14H12N2O4
- Molecular weight
- 272.26
Names & synonyms
4-METHOXY-3-NITRO-N-PHENYLBENZAMIDE3-Nitro-p-anisanilideBenzamide, 4-methoxy-3-nitro-N-phenyl-CCRIS 5842DTXSID7025558EINECS 202-572-9NSC 50649BRN 33975094-Methoxy-3-nitrobenzanilideDTXCID2055582-12-00-00258 (Beilstein Handbook Reference)RefChem:99595
Show more names
3-nitro-p-anisanilidp-Anisanilide, 3-nitro.4-methoxy-3-nitro-n-phenyl4-methoxy-3-nitro-n-phenyl-benzamid
202-572-9YKOCPBMVMBUTAX-UHFFFAOYSA-N97-32-53-NITRO-4-METHOXYBENZANILIDEp-Anisanilide, 3-nitro-NSC-50649Oprea1_2247294E8U86FE5W
Database identifiers
- CAS
97-32-5- PubChem CID
- 7331
- DTXSID
DTXSID7025558- ChEMBL
CHEMBL1325964- UNII
- 4E8U86FE5W
- EC Number
- 202-572-9
- Nikkaji
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
Solubilityless than 0.1 mg/mL at 59 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description4-methoxy-3-nitro-n-phenylbenzamide is a light tan solid. (NTP, 1992)
Physicochemical properties
- Boiling point
- 415.31 °C · 415.31°C (rough estimate)
- Density
- 1.2499 · 1.2499 (rough estimate)
- vapor pressure
- 0.001 Pa · 0.001Pa at 20℃
- refractive index
- 1.618 · 1.6180 (estimate)
- form
- Powder
- LogP
- 2.69 at · 2.69 at 23℃ and pH7.8-7.9
- EPA Substance Registry System
- 4 · 4-Methoxy-3-nitro-N-phenylbenzamide (97-32-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.
Warning
H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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.
Hazard information
Regulatory InformationREACH registered substance: 4-methoxy-3-nitro-N-phenylbenzamide (EC: 202-572-9)
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile
A nitrated benzamide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
Air and Water ReactionsThis chemical may be sensitive to prolonged exposure to air. (NTP, 1992). Insoluble in water.
Hazard Classes and CategoriesEye Irrit. 2 (97.4%)
Safety & protection
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, 4-methoxy-3-nitro-N-phenyl-: INACTIVE
Applications
General DescriptionLight tan solid.
Suppliers7 total
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
山东智尚化工有限公司15689709505 15508639737 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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