2-amino-5-chlorobenzaldehyde

• ChemBase ID: 68254
• Molecular Formular: C7H6ClNO
• Molecular Mass: 155.58164
• Monoisotopic Mass: 155.0137915
• SMILES: C(=O)c1c(ccc(c1)Cl)N
• Canonical SMILES: O=Cc1cc(Cl)ccc1N
• InChI: InChI=1S/C7H6ClNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
• InChIKey: KUIFMGITZFDQMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-chlorobenzaldehyde
• IUPAC Traditional name: 2-amino-5-chlorobenzaldehyde
• Synonyms: 2-Amino-5-chlorobenzaldehyde; 6-Amino-3-chlorobenzaldehyde; 2-Amino-5-chlorobenzaldehyde; 2-氨基-5-氯苯甲醛

Database IDs

• CAS Number: 20028-53-9
• MDL Number: MFCD02093936
• Beilstein Number: 2716096
• PubChem SID: 162033986
• PubChem CID: 2773898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.110797
• LogD (pH = 7.4): 2.110866
• Log P: 2.1108668
• Molar Refractivity: 42.1472 cm^3
• Polarizability: 15.238837 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68-74°C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%