3,5-dichloroaniline

• ChemBase ID: 85607
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: Nc1cc(cc(c1)Cl)Cl
• Canonical SMILES: Nc1cc(Cl)cc(c1)Cl
• InChI: InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
• InChIKey: UQRLKWGPEVNVHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloroaniline
• IUPAC Traditional name: 3,5-dichloroaniline
• Synonyms: 3,5-Dichloroaniline; 3,5-dichloroaniline; 3,5-Dichloroaniline 98%; 3,5-二氯苯胺

Database IDs

• CAS Number: 626-43-7
• EC Number: 210-948-9
• MDL Number: MFCD00007774
• Beilstein Number: 636492
• PubChem SID: 24893944; 24862384; 162072723
• PubChem CID: 12281

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3518791
• LogD (pH = 7.4): 2.3524024
• Log P: 2.3524091
• Molar Refractivity: 40.368 cm^3
• Polarizability: 15.241158 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: dark gray crystalline
• Melting Point: 46-52 °C; 46-52 °C(lit.); 49-52 °C; 49-53°C; 51-53°C
• Boiling Point: 259-260 °C/741 mmHg(lit.); 259-260°C/741mm; 259-260°C/741mm
• Flash Point: 133 °C; 133°C(271°F); 271.4 °F
• Density: 1.58

Safety Information

• Storage Warning: Toxic/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3442; UN3442
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23/24/25-33-50/53
• Safety Statements: 28-36/37-45-60-61; 28-36/37-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H311 + H331-H373-H410; H301-H311-H331-H373-H400-H410; H301-H311-H331-H373-H410
• GHS Precautionary statements: P260-P301+P310-P361-P302+P352-P405-P501A; P261-P273-P280-P301 + P310-P311-P501
• RID/ADR: UN 3442 6.1/PG 2

Product Information

• Purity: ≥95% (GC); ≥97.0% (GC); ≥98%; 97%; 98%
• Grade: PESTANAL®, analytical standard; purum; technical
• Linear Formula: Cl2C6H3NH2

DETAILS

MP Biomedicals - 05205153

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D55792

Packaging
10, 100 g in glass bottle

Sigma Aldrich - 36704

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

Sigma Aldrich - 35220

Caution
may discolor on storage