Basic information
- CAS
1131-01-7- Standard SMILES
Cc1cccc(C)c1NC(=O)CCl- InChIKey
FPQQSNUTBWFFLB-UHFFFAOYSA-N- Molecular formula
- C10H12ClNO
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0607417
Names & identifiers
- Preferred name
- 2-Chloro-N-(2,6-dimethylphenyl)acetamide
- IUPAC
- 2-chloro-N-(2,6-dimethylphenyl)acetamide
- English name
- 2-Chloro-N-(2,6-dimethylphenyl)acetamide
- Molecular formula
- C10H12ClNO
- Molecular weight
- 197.66
Names & synonyms
2-Chloro-N-(2,6-dimethylphenyl)acetamide1131-01-72-Chloro-2',6'-acetoxylidideChloroaceto-2,6-xylidideChloroacetamido-2,6-xylidine5D2B69OAPXalpha-Chloro-2,6-dimethylacetanilideNSC-37260DTXSID4061545RefChem:86399DTXCID2033312214-460-7
Show more names
NSC 372602-Chloro-N-(2acetoxylidideAKOS BBS-00000875LIDOCAINE EP IMP HTIMTEC-BB SBB003566IFLAB-BB F0133-0019
2-Chloro-2',6'-dimethylacetanilideN-(2,6-dimethylphenyl)chloroacetamideLidocaine EP Impurity HN-Chloroacetyl-2,6-dimethylanilineAcetamide, 2-chloro-N-(2,6-dimethylphenyl)-1-Chloroacetylamino-2,6-dimethylbenzeneMFCD00000926N-(2,6-dimethylphenyl)-2-chloroacetamide
Database identifiers
- CAS
1131-01-7- PubChem CID
- 70798
- DTXSID
DTXSID4061545- UNII
- 5D2B69OAPX
- EC Number
- 214-460-7
- Nikkaji
- J29.478K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Experimental & physicochemical properties
Physical DescriptionWhite or grey powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 150 · 150-151 °C(lit.)
- Boiling point
- 316.8 · 316.8±30.0 °C(Predicted)
- Density
- 1.1363 · 1.1363 (rough estimate)
- refractive index
- 1.533 · 1.5330 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Crystalline Powder or Needles
- pka
- 12.91 · 12.91±0.70(Predicted)
- color
- White to brown
- Water Solubility
- Soluble in Chloroform, Methanol. Insoluble in water.
- BRN
- 781309 · 781309
- Stability
- Light Sensitive
- InChI
- 1S/C10H12ClNO/c1-7-4-3-5-8(2)10(7)12-9(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
- InChIKey
- FPQQSNUTBWFFLB-UHFFFAOYSA-N
- SMILES
- Cc1cccc(C)c1NC(=O)CCl
- CAS DataBase Reference
- 1131 · 1131-01-7(CAS DataBase Reference)
- FDA UNII
- 5 D2B69OAPX · 5D2B69OAPX
- NIST Chemistry Reference
- 2 · 2-Chloro-2',6'-acetoxylidide(1131-01-7)
- EPA Substance Registry System
- 2 · Acetamide, 2-chloro-N-(2,6-dimethylphenyl)- (1131-01-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 29214200 · 29214200
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (70.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (29.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (99.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (29.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 165 reports by companies from 11 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
Regulatory InformationStatus: Active Update: 29-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18637
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Acetanilide.
Hazard Classes and CategoriesAcute Tox. 4 (70.3%)；Skin Irrit. 2 (29.7%)；Eye Irrit. 2 (99.4%)；STOT SE 3 (29.1%)
Regulatory information
Regulatory InformationStatus: Active Update: 29-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18637
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29214200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, 2-chloro-N-(2,6-dimethylphenyl)-: ACTIVE
Applications
UsesLidocaine intermediate.
Uses2-Chloro-2',6'-dimethylacetanilide is used in the determination of the enantiomers of tocainide in blood plasma by gas-liquid chromatography with electron-capture detection. It is a nonsteroidal antinflammatory drug.
General DescriptionN-(2,6-Dimethylphenyl)chloroacetamide (2-chloro-2′,6′-acetoxylidide) is nonsteroidal antinflammatory drug.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
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Related reactions
71 records
Compound notes
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