CAS 55304-80-8 2,6-Dibromo-3-nitropyridine (HCID 555053)

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Basic information

CAS: 55304-80-8
Standard SMILES: O=[N+]([O-])c1ccc(Br)nc1Br
InChIKey: FFRFTURYWWFKIC-UHFFFAOYSA-N
Molecular formula: C5H2Br2N2O2
Average molar mass: 281.89 g/mol
Monoisotopic mass: 279.8483015

Names & identifiers

Preferred name: 2,6-Dibromo-3-nitropyridine
IUPAC: 2,6-dibromo-3-nitropyridine
English name: 2,6-Dibromo-3-nitropyridine
Molecular formula: C5H2Br2N2O2
Molecular weight: 281.89

Names & synonyms

2,6-Dibromo-3-nitropyridine55304-80-8DTXSID60339262RefChem:83133DTXCID00290343FFRFTURYWWFKIC-UHFFFAOYSA-N2,6-Dibromo-3-nitro-pyridinePYRIDINE, 2,6-DIBROMO-3-NITRO-MFCD00233995SCHEMBL40986AKOS005257115CS-W000354

Show more names

2,6-Dibromo-3-Nitropridine2,6-dibromo-3-nitro-pryridine2,6-Dibromo-3-nitropyridine ,98%

PB30628AC-28006AS-11334SY004461EN300-862162,6-dibA8012AM20061318

Database identifiers

CAS: 55304-80-8
PubChem CID: 555053
DTXSID: DTXSID60339262
EC Number: 971-246-2
Nikkaji: J392.189A

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 78 °C · 78 °C
Boiling point: 295.8 · 295.8±35.0 °C(Predicted)
Density: 2 · 2+-.0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
pka: -7.68 · -7.68±0.10(Predicted)
form: Solid
color: Dark Yellow
InChI: InChI=1S/C5H2Br2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
InChIKey: FFRFTURYWWFKIC-UHFFFAOYSA-N
SMILES: C1(Br)=NC(Br)=CC=C1[N+]([O-])=O
CAS DataBase Reference: 55304 · 55304-80-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 29333990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25
Hazard statements: H315-H319-H335
Precautionary statements: P261-P271-P280

Chemistry & industry

Applications

Uses2,6-Dibromo-3-nitropyridine is a useful reagent for organic synthesis and other chemical processes. It is used as a reagent in the synthesis of amino(carbamoylmethyl) pyridones as factor VIIa inhibitors and anticoagulants.