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1424-66-4 molecular structure
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2-chloro-4-(dimethylamino)benzaldehyde

ChemBase ID: 81675
Molecular Formular: C9H10ClNO
Molecular Mass: 183.6348
Monoisotopic Mass: 183.04509163
SMILES and InChIs

SMILES:
O=Cc1c(cc(cc1)N(C)C)Cl
Canonical SMILES:
O=Cc1ccc(cc1Cl)N(C)C
InChI:
InChI=1S/C9H10ClNO/c1-11(2)8-4-3-7(6-12)9(10)5-8/h3-6H,1-2H3
InChIKey:
XSQFAWMDRFSIMY-UHFFFAOYSA-N

Cite this record

CBID:81675 http://www.chembase.cn/molecule-81675.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-4-(dimethylamino)benzaldehyde
IUPAC Traditional name
2-chloro-4-(dimethylamino)benzaldehyde
Synonyms
3-Chloro-N,N-dimethyl-4-formylaniline
2-Chloro-4-(dimethylamino)benzaldehyde 95+%
2-chloro-4-(dimethylamino)benzaldehyde
CAS Number
1424-66-4
MDL Number
MFCD00021051
PubChem SID
162068794
PubChem CID
74021

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 74021 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.397761  LogD (pH = 7.4) 2.3978357 
Log P 2.3978367  Molar Refractivity 51.8754 cm3
Polarizability 18.930412 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
70-73°C expand Show data source
Storage Warning
Irritant/Store under Argon expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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