2,4-dichloroaniline

• ChemBase ID: 92880
• Molecular Formular: C6H5Cl2N
• Molecular Mass: 162.0166
• Monoisotopic Mass: 160.97990453
• SMILES: Nc1c(cc(cc1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)N
• InChI: InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• InChIKey: KQCMTOWTPBNWDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloroaniline
• IUPAC Traditional name: 2,4-dichloroaniline
• Synonyms: 2,4-Dichloroaniline; 2,4-Dichloroaniline 99%; 2,4-DICHLOROANILINE; 2,4-二氯苯胺

Database IDs

• CAS Number: 554-00-7
• EC Number: 209-057-8
• MDL Number: MFCD00007661
• Beilstein Number: 386422
• PubChem SID: 24847072; 24861759; 24861967; 162079578
• PubChem CID: 11123

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.3522773
• LogD (pH = 7.4): 2.3524075
• Log P: 2.3524091
• Molar Refractivity: 40.368 cm^3
• Polarizability: 15.231962 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59-62 °C(lit.); 59-63°C; 60-62°C; 60-65 °C
• Boiling Point: 242°C; 245 °C(lit.); 245°C
• Flash Point: 115 °C; 115°C; 149°C(300°F); 239 °F
• Density: 1.567

Safety Information

• Storage Warning: Toxic/Irritant/Light Sensitive
• RTECS: BX2600000
• European Hazard Symbols: Nature polluting (N); Toxic (T); Harmful (Xn)
• 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; R:22
• Safety Statements: 28-36/37-45-60-61; S:36/37/39
• 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: ≥95% (GC); ≥97.0% (GC); 98%; 99%
• Grade: PESTANAL®, analytical standard; technical
• Linear Formula: Cl2C6H3NH2

DETAILS

MP Biomedicals - 05215160

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 35170

Packaging
50 g in glass bottle

Sigma Aldrich - 112151

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 35829

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