2,3-dichloroaniline

• ChemBase ID: 78446
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: Nc1cccc(c1Cl)Cl
• Canonical SMILES: Clc1c(N)cccc1Cl
• InChI: InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
• InChIKey: BRPSAOUFIJSKOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichloroaniline
• IUPAC Traditional name: 2,3-dichloroaniline
• Synonyms: 2,3-Dichloroaniline; 2,3-Dichloroaniline 99%; 2,3-DICHLOROANILINE; 2,3-二氯苯胺

Database IDs

• CAS Number: 608-27-5
• EC Number: 210-157-9
• MDL Number: MFCD00007657
• Beilstein Number: 472027
• PubChem SID: 24861757; 24862381; 24893939; 162043213
• PubChem CID: 11844

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.352243
• LogD (pH = 7.4): 2.3524072
• Log P: 2.3524091
• Molar Refractivity: 40.368 cm^3
• Polarizability: 15.270299 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 20-24°C; 20-25 °C(lit.); 20-25°C
• Boiling Point: 250-252°C; 252 °C(lit.); 252°C
• Flash Point: 115 °C; 115°C; 115°C(239°F); 239 °F
• Density: 1.37; 1.37 g/mL at 20 °C(lit.)
• Refractive Index: 1.37; 1.6060; n20/D 1.597(lit.)

Safety Information

• Storage Warning: Toxic/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon
• RTECS: CX9862625
• 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
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: 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
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3442 6.1/PG 2

Product Information

• Purity: ~85% (HPLC); 98%; 99%
• Grade: PESTANAL®, analytical standard; technical
• Linear Formula: Cl2C6H3NH2

DETAILS

MP Biomedicals - 05207136

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D55407

Packaging
100 g in glass bottle

Sigma Aldrich - 36701

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