2,5-dibromoaniline

• ChemBase ID: 73325
• Molecular Formular: C6H5Br2N
• Molecular Mass: 250.9186
• Monoisotopic Mass: 248.87887317
• SMILES: Brc1c(cc(cc1)Br)N
• Canonical SMILES: Brc1ccc(c(c1)N)Br
• InChI: InChI=1S/C6H5Br2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
• InChIKey: WRTAZRGRFBCKBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromoaniline
• IUPAC Traditional name: 2,5-dibromoaniline
• Synonyms: 2,5-Dibromoaniline; 2,5-Dibromoaniline; 2,5-二溴苯胺

Database IDs

• CAS Number: 3638-73-1
• EC Number: 222-865-5
• MDL Number: MFCD00007636
• Beilstein Number: 1817548
• PubChem SID: 24847683; 162038245
• PubChem CID: 77198

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.681411
• LogD (pH = 7.4): 2.68182
• Log P: 2.6818252
• Molar Refractivity: 46.004 cm^3
• Polarizability: 17.358152 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51-53 °C(lit.); 51-56°C; 52 - 53°C; 52-56°C
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235.4 °F
• Hydrophobicity(logP): 3.069

Safety Information

• Storage Warning: Harmful/Irritant/Light Sensitive/Moisture Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-36/37; S:20-25-26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H317-H319-H332-H335; H311-H302-H332-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 95%; 98%
• Linear Formula: Br2C6H3NH2

DETAILS

MP Biomedicals - 05215155

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 125881

Packaging
5, 25 g in glass bottle