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2447-79-2 molecular structure
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2,4-dichlorobenzamide

ChemBase ID: 86157
Molecular Formular: C7H5Cl2NO
Molecular Mass: 190.0267
Monoisotopic Mass: 188.97481915
SMILES and InChIs

SMILES:
Clc1c(ccc(c1)Cl)C(=O)N
Canonical SMILES:
Clc1ccc(c(c1)Cl)C(=O)N
InChI:
InChI=1S/C7H5Cl2NO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
InChIKey:
XXFUNTSOBHSMBU-UHFFFAOYSA-N

Cite this record

CBID:86157 http://www.chembase.cn/molecule-86157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichlorobenzamide
IUPAC Traditional name
2,4-dichlorobenzamide
Synonyms
2,4-Dichlorobenzamide 98%
2,4-Dichlorobenzamide
2,4-Dichlorobenzamide
2,4-二氯苯甲酰胺
CAS Number
2447-79-2
EC Number
219-505-4
MDL Number
MFCD00007974
Beilstein Number
2328193
PubChem SID
162073273
PubChem CID
75556

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.953485  H Acceptors
H Donor LogD (pH = 5.5) 2.0319753 
LogD (pH = 7.4) 2.0319765  Log P 2.0319755 
Molar Refractivity 44.746 cm3 Polarizability 17.016623 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
189-194°C expand Show data source
191-194 °C(lit.) expand Show data source
192-195°C 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
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Linear Formula
Cl2C6H3CONH2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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