Home > Compound List > Compound details
7463-35-6 molecular structure
click picture or here to close

N-(3-chloro-2-methylphenyl)acetamide

ChemBase ID: 91426
Molecular Formular: C9H10ClNO
Molecular Mass: 183.6348
Monoisotopic Mass: 183.04509163
SMILES and InChIs

SMILES:
Clc1cccc(c1C)NC(=O)C
Canonical SMILES:
Cc1c(NC(=O)C)cccc1Cl
InChI:
InChI=1S/C9H10ClNO/c1-6-8(10)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey:
NALGTKRTIJHBBK-UHFFFAOYSA-N

Cite this record

CBID:91426 http://www.chembase.cn/molecule-91426.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3-chloro-2-methylphenyl)acetamide
IUPAC Traditional name
3-chloro-2-methylacetanilide
Synonyms
3-Chloro-2-methyl-N-acetylaniline
3′-Chloro-o-acetotoluidide
3′-Chloro-2′-methylacetanilide
3'-Chloro-2'-methylacetanilide
3′-氯邻甲基乙酰苯胺
3′-氯-2′-甲基乙酰苯胺
3-氯-2-甲基乙酰苯胺
CAS Number
7463-35-6
EC Number
231-254-2
MDL Number
MFCD00018264
PubChem SID
162078125
24870022
PubChem CID
81969

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 81969 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.211304  H Acceptors
H Donor LogD (pH = 5.5) 2.3284223 
LogD (pH = 7.4) 2.328422  Log P 2.3284223 
Molar Refractivity 50.767 cm3 Polarizability 18.845167 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)
Melting Point
155-157°C expand Show data source
156-159 °C(lit.) 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
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Linear Formula
CH3CONHC6H3(CH3)Cl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle