2,6-dibromopyridine

• ChemBase ID: 13786
• Molecular Formular: C5H3Br2N
• Molecular Mass: 236.89202
• Monoisotopic Mass: 234.8632231
• SMILES: c1c(nc(cc1)Br)Br
• Canonical SMILES: Brc1cccc(n1)Br
• InChI: InChI=1S/C5H3Br2N/c6-4-2-1-3-5(7)8-4/h1-3H
• InChIKey: FEYDZHNIIMENOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromopyridine
• IUPAC Traditional name: pyridine, 2,6-dibromo-
• Synonyms: 2,6-Dibromopyridine; 2,6-Dibromopyridine; 2,6-二溴吡啶

Database IDs

• CAS Number: 626-05-1
• EC Number: 210-926-9
• MDL Number: MFCD00006223
• Beilstein Number: 108922
• PubChem SID: 160977093; 24861142; 24893860
• PubChem CID: 12274

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7041225
• LogD (pH = 7.4): 2.7041228
• Log P: 2.7041228
• Molar Refractivity: 40.8311 cm^3
• Polarizability: 15.521076 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: white crystal
• Melting Point: 117-119 °C; 117-119 °C(lit.); 117-120°C; 118-119°C
• Boiling Point: 255°C; 255°C
• Flash Point: >100 °C; >100°C; >212 °F; 213°C(415°F)

Safety Information

• Storage Warning: IRRITANT; Very Toxic/Irritant/Light Sensitive/Store under Argon
• RTECS: US7883000
• European Hazard Symbols: Toxic (T); Highly toxic (T+); Irritant (Xi)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 20/21-25-36/38-52/53; 28-36/37/38-52; 36/37/38; R:36/37/38
• Safety Statements: 26-28-36/37-45; 26-36/37-45-61; 26-37/39; S:20-25-26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H300-H312-H332-H315-H319-H402-H412; H300-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P264-P301 + P310-P305 + P351 + P338; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: ≥97.0% (GC); 97%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H3Br2N

DETAILS

MP Biomedicals - 05204201

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D43115

Packaging
25, 100 g in glass bottle

REFERENCES

• Treatment with 4 moles of n-BuLi in ether at -60^o, followed by reaction with PCl₃ at -40^o, provides a useful one-pot synthesis of 6,6"-dibromo-2,2':6',2"-terpyridine, which has applications as a tridentate chelating ligand and in the formation of macrocycles containing the terpyridine moiety: Synthesis, 939 (1995).