2,4-dichloro-6-nitroaniline

• ChemBase ID: 111942
• Molecular Formular: C6H4Cl2N2O2
• Molecular Mass: 207.01416
• Monoisotopic Mass: 205.96498274
• SMILES: Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-]
• Canonical SMILES: Clc1cc(Cl)c(c(c1)[N+](=O)[O-])N
• InChI: InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2
• InChIKey: IZEZAMILKKYOPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-nitroaniline
• IUPAC Traditional name: 2,4-dichloro-6-nitroaniline
• Synonyms: 4,6-DICHLORO-2-NITROANILINE; 2,4-Dichloro-6-nitroaniline; 2,4-二氯-6-硝基苯胺

Database IDs

• CAS Number: 2683-43-4
• EC Number: 220-241-7
• MDL Number: MFCD00007664
• Beilstein Number: 642902
• PubChem SID: 162097144; 24847692
• PubChem CID: 75893

CALCULATED PROPERTIES

• Acid pKa: 13.367371
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9423933
• LogD (pH = 7.4): 2.942393
• Log P: 2.9423933
• Molar Refractivity: 46.6885 cm^3
• Polarizability: 17.285316 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-103 °C(lit.); 99-103°C

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+); X
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/21/22-36/37/38; 26/27/28-33-51/53
• Safety Statements: 26-36/37; 28-36/37-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H373-H411; H301-H311-H332-H315-H319-H335
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 98%
• Linear Formula: Cl2C6H2(NO2)NH2

DETAILS

MP Biomedicals - 05221858

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 126004

Packaging
5, 25 g in glass bottle