2,5-dichlorobenzene-1,4-diamine

• ChemBase ID: 149718
• Molecular Formular: C6H6Cl2N2
• Molecular Mass: 177.03124
• Monoisotopic Mass: 175.99080356
• SMILES: c1c(c(cc(c1Cl)N)Cl)N
• Canonical SMILES: Nc1cc(Cl)c(cc1Cl)N
• InChI: InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2
• InChIKey: QAYVHDDEMLNVMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichlorobenzene-1,4-diamine
• IUPAC Traditional name: 2,5-dichlorobenzene-1,4-diamine
• Synonyms: 1,4-Diamino-2,5-dichlorobenzene; 2,5-Dichloro-p-phenylenediamine; 2,5-Dichlorobenzene-1,4-diamine; 2,5-二氯-1,4-苯二胺; 2,5-二氯-1,4-苯二胺; 2,5-二氯对苯二胺

Database IDs

• CAS Number: 20103-09-7
• EC Number: 243-512-1
• MDL Number: MFCD00007902
• Beilstein Number: 2803055
• PubChem SID: 24852691; 162243880
• PubChem CID: 29949

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5132722
• LogD (pH = 7.4): 1.5233532
• Log P: 1.5234833
• Molar Refractivity: 45.0684 cm^3
• Polarizability: 16.406729 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164-166 °C (dec.)(lit.); 164-168°C

Safety Information

• RTECS: SS9150000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26-36/37; 26-36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 98%; 99%
• Linear Formula: Cl2C6H2(NH2)2

DETAILS

Sigma Aldrich - 211494

Packaging
25 g in glass bottle