Basic information
- Standard SMILES
Cc1ccccc1NC=O- InChIKey
ZXTLGJAARBNQGK-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- Formamide, N-(2-methylphenyl)-
- IUPAC
- N-(2-methylphenyl)formamide
- English name
- 2-Methylformanilide
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
Show more names
Database identifiers
- CAS
94-69-9- PubChem CID
- 7202
- DTXSID
DTXSID6059108- EC Number
- 202-355-9
- Nikkaji
- J28.438F
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
- 114
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 58 · 58-62 °C(lit.)
- Boiling point
- 287 · 287-289°C
- Density
- 1.086 · 1.0860
- refractive index
- 1.5589 · 1.5589 (estimate)
- Flash point
- 287 · 287-289°C
- pka
- 15.01 · 15.01±0.70(Predicted)
- form
- powder to crystal
- color
- White to Gray to Brown
- BRN
- 2205748 · 2205748
- CAS DataBase Reference
- 94 · 94-69-9(CAS DataBase Reference)
- EPA Substance Registry System
- Formamide, N-(2-methylphenyl)- (94-69-9)
- Symbol(GHS)
- 7 · GHS07,GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H319-H334-H301-H315-H335
- Precautionary statements
- 280 a-P301+P310a-P405-P501a-P261-P305+P351+P338-P342+P311 · P280a-P301+P310a-P405-P501a-P261-P305+P351+P338-P342+P311
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36-42/43
- Safety Statements
- 22 · 22-26-36/37-45
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2924.29 · 2924.29.7790
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H334 (97.5%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
P233, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P330, P337+P317, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2924.29.7790
- risk_code
- 22-36-42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08,GHS06
- hazard_code
- Xn
- safety_code
- 22-26-36/37-45
- Hazard statements
- H302-H319-H334-H301-H315-H335
- Precautionary statements
- P280a-P301+P310a-P405-P501a-P261-P305+P351+P338-P342+P311
Chemistry & industry
Uses & manufacturing
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers38 total
Related reactions
Linked notes
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