Basic information
- Standard SMILES
CN(C=O)c1ccccc1- InChIKey
JIKUXBYRTXDNIY-UHFFFAOYSA-N- Molecular formula
- C8H9NO
- Average molar mass
- 135.16 g/mol
- Monoisotopic mass
- 135.06841391
Names & identifiers
- Preferred name
- N-Methylformanilide
- IUPAC
- N-methyl-N-phenylformamide
- English name
- N-Methylformanilide
- Molecular formula
- C8H9NO
- Molecular weight
- 135.16
Names & synonyms
Show more names
Database identifiers
- CAS
93-61-8- PubChem CID
- 66737
- DTXSID
DTXSID0059089- UNII
- 3D8E5U4HSE
- EC Number
- 202-262-3
- Nikkaji
- J3.078.215A、J37.681G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 8 · 8-13 °C (lit.)
- Boiling point
- 243 · 243-244 °C (lit.)
- Density
- 1.095 g/mL · 1.095 g/mL at 25 °C (lit.)
- vapor pressure
- 2.66 Pa · 2.66 Pa (25 °C)
- refractive index
- 20 · n20/D 1.561(lit.)
- Flash point
- 260 °F · 260 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 10.3 g/l · 10.3g/l
- form
- Liquid
- pka
- 0.53 · 0.53±0.50(Predicted)
- color
- Clear colorless to yellow
- PH
- 3.5 · 3.5-5.5 (H2O, 20℃)(saturated aqueous solution)
- Viscosity
- 26.84 mm2/s · 26.84mm2/s
- Water Solubility
- immiscible
- BRN
- 636496 · 636496
- Dielectric constant
- 17.21 · 17.210000000000001
- InChI
- 1S/C8H9NO/c1-9(7-10)8-5-3-2-4-6-8/h2-7H,1H3
- InChIKey
- JIKUXBYRTXDNIY-UHFFFAOYSA-N
- SMILES
- CN(C=O)c1ccccc1
- LogP
- 1.41 at · 1.41 at 25℃
- CAS DataBase Reference
- 93 · 93-61-8(CAS DataBase Reference)
- FDA UNII
- 3 D8E5U4HSE · 3D8E5U4HSE
- NIST Chemistry Reference
- Formamide, N-methyl-N-phenyl-(93-61-8)
- EPA Substance Registry System
- Formamide, N-methyl-N-phenyl- (93-61-8)
- UNSPSC Code
- 12352111 · 12352111
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-43-38
- Safety Statements
- 36 · 36/37
- WGK Germany
- 2 · 2
- TSCA
- TSCA listed
- HS Code
- 29242995 · 29242995
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralSkin · Acute Tox. 4 OralSkin Sens. 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (88.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Formamide, N-methyl-N-phenyl-
Status: Active Update: 05-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18619
N-Methylformanilide: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29242995
- risk_code
- 22-43-38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 36/37
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H317
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280-P301+P312+P330-P302+P352
Chemistry & industry
Uses & manufacturing
Applications
UsesOrganic synthesis.
UsesN-Methylformanilide is used as a formylating reagent for certain organometallics. It is in combination with phosphoryl chloride used for Vilsmeier-Haack reactions and in heterocycle syntheses. Further, it acts as a swelling agent in the dyeing process of meta-aramid fibers.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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