2,6-dichloropyrimidin-4-amine

• ChemBase ID: 67661
• Molecular Formular: C4H3Cl2N3
• Molecular Mass: 163.99272
• Monoisotopic Mass: 162.97040247
• SMILES: c1(nc(cc(n1)Cl)N)Cl
• Canonical SMILES: Nc1cc(Cl)nc(n1)Cl
• InChI: InChI=1S/C4H3Cl2N3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)
• InChIKey: UPVBKNZVOJNQKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloropyrimidin-4-amine
• IUPAC Traditional name: 2,6-dichloropyrimidin-4-amine
• Synonyms: 4-Amino-2,6-dichloropyrimidine; 2,6-Dichloropyrimidin-4-amine; 4-Amino-2,6-dichloro-1,3-diazine; 4-Amino-2,6-dichloropyrimidine 98+%; 4-Amino-2,6-dichloropyrimidine; 2,6-dichloropyrimidin-4-amine; 2,4-Dichloro-6-aminopyrimidine; 4-氨基-2,6-二氯嘧啶

Database IDs

• CAS Number: 10132-07-7
• EC Number: 233-369-3
• MDL Number: MFCD00038015
• PubChem SID: 24885465; 162033396
• PubChem CID: 82387

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5480343
• LogD (pH = 7.4): 1.5480392
• Log P: 1.5480392
• Molar Refractivity: 39.1009 cm^3
• Polarizability: 13.769768 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 258-267 °C; 258-267°C
• Hydrophobicity(logP): 1.164

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36/37; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C4H3Cl2N3

DETAILS

Sigma Aldrich - 679070

Packaging
5, 25 g in glass bottle