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1131-01-7 molecular structure
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2-chloro-N-(2,6-dimethylphenyl)acetamide

ChemBase ID: 26915
Molecular Formular: C10H12ClNO
Molecular Mass: 197.66138
Monoisotopic Mass: 197.06074169
SMILES and InChIs

SMILES:
c1(NC(=O)CCl)c(cccc1C)C
Canonical SMILES:
ClCC(=O)Nc1c(C)cccc1C
InChI:
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

Cite this record

CBID:26915 http://www.chembase.cn/molecule-26915.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-N-(2,6-dimethylphenyl)acetamide
IUPAC Traditional name
2-chloro-N-(2,6-dimethylphenyl)acetamide
Synonyms
2-Chloro-N-(2,6-dimethylphenyl)acetamide
2-Chloro-2′,6′-acetoxylidide
N-(2,6-Dimethylphenyl)chloroacetamide
2-Chloro-N-(2,6-dimethylphenyl)acetamide
1-Chloroacetylamino-2,6-dimethylbenzene
2-Chloro-2',6'-acetoxylidide
2',6'-Dimethyl-2-chloroacetanilide
Chloroacetamido-2,6-xylidine
Chloroaceto-2,6-xylidide
N-(2,6-Dimethylphenyl)-2-chloroacetamide
N-(2,6-Xylyl)chloroacetamide
N-Chloroacetyl-2,6-dimethylaniline
NSC 37260
2-Chloro-2',6'-dimethylacetanilide
2-Chloro-2',6'-dimethylacetanilide
1-氯乙酰氨基-2,6-二甲苯
2-氯-2′,6′-二甲基乙酰苯胺
2-氯-N-(2,6-二甲基苯基)乙酰胺
N-(2,6-二甲基苯基)-2-氯乙酰胺
N-(2,6-二甲苯基)氯乙酰胺
N-氯乙酰基-2,6-二甲基苯胺
氯乙酰氨基-2,6-二甲苯胺
N-(2,6-二甲基苯基)氯乙酰胺
N-氯-2,6-二甲基乙酰苯胺
CAS Number
1131-01-7
EC Number
214-460-7
MDL Number
MFCD00000926
Beilstein Number
781309
PubChem SID
160990222
24851662
PubChem CID
70798

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.755799  H Acceptors
H Donor LogD (pH = 5.5) 2.7751427 
LogD (pH = 7.4) 2.7751427  Log P 2.7751427 
Molar Refractivity 55.7566 cm3 Polarizability 20.562778 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
146-150°C expand Show data source
148-150°C expand Show data source
150-151 °C(lit.) expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280G-P305+P351+P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
ClCH2CONHC6H3(CH3)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 194921 external link
包装
10 g in poly bottle
Toronto Research Chemicals - C365375 external link
Lidocaine intermediate.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Moen, A., et al.: Biocatal. Biotransform., 23, 45 (2005)
  • • Yogeeswari, P., et al.: Bioorg. Med. Chem. Lett., 17, 3712 (2005)
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PATENTS

PATENTS

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INTERNET

INTERNET

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