Basic information
- CAS
645-09-0- Standard SMILES
NC(=O)c1cccc([N+](=O)[O-])c1- InChIKey
KWAYEPXDGHYGRW-UHFFFAOYSA-N- Molecular formula
- C7H6N2O3
- Average molar mass
- 166.13 g/mol
- Monoisotopic mass
- 166.03784205
Overview
M-nitrobenzamide is a yellow powder. (NTP, 1992)
Names & identifiers
- Preferred name
- 3-Nitrobenzamide
- IUPAC
- 3-nitrobenzamide
- English name
- 3-Nitrobenzamide
- Molecular formula
- C7H6N2O3
- Molecular weight
- 166.13
Names & synonyms
3-NitrobenzamideM-NITROBENZAMIDEBenzamide, 3-nitro-DTXSID5025732EINECS 211-431-0NSC 37327BRN 0777185DTXCID605732RefChem:950183-NITROBENZOIC ACID, AMIDE211-431-04-09-00-01061 (Beilstein Handbook Reference)
Show more names
3-nitro-benzamidN-nitrobenzamidem-nitro-benzamid3-Nitrobenzamide>Benzamide, m-nitro-3-Nitrobenzamide,98%
KWAYEPXDGHYGRW-UHFFFAOYSA-N645-09-0Benzamide, m-nitro-MFCD000079843-Nitro-benzamideKMU7X7KT5TCHEMBL338567NSC-37327
Database identifiers
- CAS
645-09-0- PubChem CID
- 12576
- DTXSID
DTXSID5025732- ChEMBL
CHEMBL338567- UNII
- KMU7X7KT5T
- EC Number
- 211-431-0
- Nikkaji
- J96.213I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
LogP0.77
Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Boiling Point590 to 599 °F at 760 mmHg (NTP, 1992)
Melting Point288.9 °F (NTP, 1992)
Physical DescriptionM-nitrobenzamide is a yellow powder. (NTP, 1992)
Physicochemical properties
- Melting point
- 140 · 140-143 °C (lit.)
- Boiling point
- 312.55 °C · 312.55°C
- Density
- 1.4994 · 1.4994 (rough estimate)
- refractive index
- 1.588 · 1.5880 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystalline Powder or Crystals
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsFlash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile
A nitrated amide. 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 ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Fire FightingFires involving this compound can be controlled with dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)
First Aid
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, 3-nitro-: INACTIVE
Applications
General DescriptionYellow powder.
Upstream & downstream products
Downstream products
Suppliers73 total
格林斯柏生物科技（江苏）有限公司0523-87726088 13705266400 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
20 records
Compound notes
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