2-chloro-4-(dimethylamino)benzaldehyde

• ChemBase ID: 81675
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 1424-66-4
• MDL Number: MFCD00021051
• PubChem SID: 162068794
• PubChem CID: 74021

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.397761
• LogD (pH = 7.4): 2.3978357
• Log P: 2.3978367
• Molar Refractivity: 51.8754 cm^3
• Polarizability: 18.930412 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 70-73°C

Safety Information

• Storage Warning: Irritant/Store under Argon

Product Information

• Purity: 97%