N-Acetyl-2,6-xylidine
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Basic information
- CAS
2198-53-0- Standard SMILES
CC(=O)Nc1c(C)cccc1C- InChIKey
NRPTXWYBRKRZES-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- N-Acetyl-2,6-xylidine
- IUPAC
- N-(2,6-dimethylphenyl)acetamide
- English name
- 2',6'-Dimethylacetanilide
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
N-(2,6-Dimethylphenyl)acetamide2198-53-02',6'-Dimethylacetanilide2,6-DimethylacetanilideAcetamide, N-(2,6-dimethylphenyl)-2',6'-ACETOXYLIDIDEN-Acetyl-2,6-xylidineN-Acetyl-2,6-dimethylanilineNSC 54130Acetanilide, 2',6'-dimethyl-68GZI4J9FMN-Acetoxy-2,6-dimethylaniline
Show more names
Lidocaine EP Impurity C2,6-Acetoxylide2’,6’-AcetoxylididLIDOCAINE EP IMP CTIMTEC-BB SBB008144Lidocaine Impurity 7N-Acetyl-2,6-xylidene
EINECS 218-596-8NSC-54130BRN 2208750DTXSID2062244LIDOCAINE IMPURITY C [EP IMPURITY]LIDOCAINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]LIDOCAINE IMPURITY C (EP IMPURITY)LIDOCAINE HYDROCHLORIDE IMPURITY C (EP IMPURITY)
Database identifiers
- CAS
2198-53-0- PubChem CID
- 16616
- DTXSID
DTXSID2062244- UNII
- 68GZI4J9FM
- EC Number
- 218-596-8
- Nikkaji
- J55.070A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Melting point
- 182 · 182-184 °C(lit.)
- Boiling point
- 290.31 °C · 290.31°C (rough estimate)
- Density
- 1.052 · 1.052
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 15.14 · 15.14±0.70(Predicted)
- color
- Crystals
- InChI
- 1S/C10H13NO/c1-7-5-4-6-8(2)10(7)11-9(3)12/h4-6H,1-3H3,(H,11,12)
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
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AN7470000
- hs_code
- 2924299090
- Toxicity
- LD50 orl-mus: 620 mg/kg TXAPA9 19,20,71
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
General Manufacturing InformationAcetamide, N-(2,6-dimethylphenyl)-: ACTIVE
Applications
UsesLidocaine (L397800) impurity.
General Description2,6-Dimethylacetanilide undergoes iodination by electrophylic substitution reaction of chloroacetanilide, in the presence of ferroiodide and copperchloride as catalyst, to form 4-iodine-2,6-dimethylacetanilide.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
12 records
Compound notes
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