Basic information
- CAS
613-93-4- Standard SMILES
CNC(=O)c1ccccc1- InChIKey
NCCHARWOCKOHIH-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Overview
N-methylbenzamide is an off-white crystalline solid. (NTP, 1992)
Names & identifiers
- Preferred name
- N-Methylbenzamide
- IUPAC
- N-methylbenzamide
- English name
- N-Methylbenzamide
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
Show more names
Database identifiers
- CAS
613-93-4- PubChem CID
- 11954
- DTXSID
DTXSID5025570- ChEMBL
CHEMBL275261- UNII
- K3ED781E08
- EC Number
- 210-362-3
- Nikkaji
- J47.669B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Physical Description
N-methylbenzamide is an off-white crystalline solid. (NTP, 1992)
Off-white solid; [CAMEO] Off-white crystalline powder; [MSDSonline]
Physicochemical properties
- Melting point
- 76 · 76-78 °C (lit.)
- Boiling point
- 167 °C/11 · 167 °C/11 mmHg (lit.)
- Density
- 1.1031 · 1.1031 (rough estimate)
- refractive index
- 1.5589 · 1.5589 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 50 mg/mL, · ethanol: soluble50mg/mL, clear, yellow-green
- pka
- 15 · 15.00±0.46(Predicted)
- form
- Solid
- color
- White to off-white
- Water Solubility
- Insoluble in water.
- InChI
- InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
- InChIKey
- NCCHARWOCKOHIH-UHFFFAOYSA-N
- SMILES
- C(NC)(=O)C1=CC=CC=C1
- CAS DataBase Reference
- 613 · 613-93-4(CAS DataBase Reference)
- FDA UNII
- 3 ED781E08 · K3ED781E08
- EPA Substance Registry System
- N-Methylbenzamide (613-93-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-22
- Safety Statements
- 24 · 24/25
- WGK Germany
- 1 · 1
- RTECS
- 5570000 · CV5570000
- TSCA
- TSCA listed
- HS Code
- 29242990 · 29242990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzamide, N-methyl-
N-methylbenzamide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Reactivity Profile
N-METHYLBENZAMIDE is an amide. 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).
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- CV5570000
- hs_code
- 29242990
- risk_code
- 20/21/22-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
Applications
UsesN-Methylbenzamide is an important pesticide intermediate. It acts as a potent PDE10A (phosphodiesterase with a remarkable localization as the protein is abundant only in brain tissue) inhibitor.
Suppliers100 total
Related reactions
Compound notes
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