2,4-dibromoaniline

• ChemBase ID: 8713
• Molecular Formular: C6H5Br2N
• Molecular Mass: 250.9186
• Monoisotopic Mass: 248.87887317
• SMILES: c1c(N)c(cc(c1)Br)Br
• Canonical SMILES: Brc1ccc(c(c1)Br)N
• InChI: InChI=1S/C6H5Br2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• InChIKey: DYSRXWYRUJCNFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromoaniline
• IUPAC Traditional name: 2,4-dibromoaniline
• Synonyms: 2,4-Dibromoaniline; 2,4-Dibromoaniline; 2,4-二溴苯胺

Database IDs

• CAS Number: 615-57-6
• EC Number: 210-434-4
• MDL Number: MFCD00007633
• Beilstein Number: 2206653
• PubChem SID: 24893786; 160972020
• PubChem CID: 12004

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.681112
• LogD (pH = 7.4): 2.681816
• Log P: 2.6818252
• Molar Refractivity: 46.004 cm^3
• Polarizability: 17.3581 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 78°C; 78-80 °C(lit.); 78-80°C; 78-82°C
• Boiling Point: 156°C/24mm
• Density: 2.297

Safety Information

• Storage Warning: TOXIC
• European Hazard Symbols: Nature polluting (N); Toxic (T); X; Irritant (Xi)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/21/22-36/37/38; 25-36/37/38-51/53; R:36/37/38
• Safety Statements: 26-36/37; 26-45-61; S:20-25-26-37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H311-H302-H332-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 98%; 98+%
• Linear Formula: Br2C6H3NH2

DETAILS

MP Biomedicals - 05205924

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D38405

Packaging
5, 25, 100 g in glass bottle