2,6-dichloro-4-nitroaniline

• ChemBase ID: 106944
• Molecular Formular: C6H4Cl2N2O2
• Molecular Mass: 207.01416
• Monoisotopic Mass: 205.96498274
• SMILES: Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(Cl)c(c(c1)Cl)N
• InChI: InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
• InChIKey: BIXZHMJUSMUDOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 99-30-9
• EC Number: 202-746-4
• MDL Number: MFCD00007677
• Beilstein Number: 1459581
• PubChem SID: 162094274; 24862145; 24894047; 24868573
• PubChem CID: 7430

CALCULATED PROPERTIES

• Acid pKa: 14.413097
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2923934
• LogD (pH = 7.4): 2.2923934
• Log P: 2.2923934
• Molar Refractivity: 46.6885 cm^3
• Polarizability: 17.297506 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185-192°C; 186-192 °C; 190-192 °C(lit.); 190-192°C
• Boiling Point: 130°C/2mm

Safety Information

• RTECS: BX2975000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+); Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 26/27/28-33-51/53; 36/37/38; R:27
• Safety Statements: 24-26-37; 28-36/37-45-61; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H373-H411; H302-H315-H319-H335
• GHS Precautionary statements: P260-P264-P273-P280-P284-P301 + P310; P280G-P262-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95.0% (GC); 95%; 95+%; 96%
• Grade: PESTANAL®, analytical standard; technical
• Linear Formula: Cl2C6H2(NO2)NH2

DETAILS

MP Biomedicals - 05201978

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D67820

Packaging
5, 100 g in glass bottle

Sigma Aldrich - 45435

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH