2-Bromo-5-chloro-3-nitropyridine

HCID 280681

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 75806-86-9
Standard SMILES: O=[N+]([O-])c1cc(Cl)cnc1Br
InChIKey: VFMIDVIAQMFGGP-UHFFFAOYSA-N
Molecular formula: C5H2BrClN2O2
Average molar mass: 237.44 g/mol
Monoisotopic mass: 235.89881708

Names & identifiers

Preferred name: 2-Bromo-5-chloro-3-nitropyridine
IUPAC: 2-bromo-5-chloro-3-nitropyridine
English name: 2-Bromo-5-chloro-3-nitropyridine
Molecular formula: C5H2BrClN2O2
Molecular weight: 237.44

Names & synonyms

2-Bromo-5-chloro-3-nitropyridineDTXSID80299773RefChem:85753DTXCID60250908674-538-5VFMIDVIAQMFGGP-UHFFFAOYSA-N75806-86-9MFCD07368982Pyridine, 2-bromo-5-chloro-3-nitro-2-Bromo-3-nitro-5-chloropyridine2-bromo-5-chloro-3-nitro-pyridineNSC132666

Show more names

5-Chloro-2-bromo-3-nitropyridine2-Bromo-5-chloro-3-nitropyridine>2-Bromo-5-chloro-3-nitropyridine,98%2-Bromo-5-chloro-3-nitropyridine 97%2-Bromo-5-chloro-3-nitropyridine≥ 99% (HPLC)2-BROMO-5-CHLORO-3-NITROPYRIDINE ISO 9001：2015 REACH

CS-W003387NSC-132666GS-6897NCI60_0007202-Bromo-5-chloro-3-nitropyridine, AldrichCPREN300-113419A9629SCHEMBL126682

Database identifiers

CAS: 75806-86-9
PubChem CID: 280681
DTXSID: DTXSID80299773
ChEMBL: CHEMBL1997783
EC Number: 674-538-5
Nikkaji: J3.099.115J

Properties

Computed structural properties

XLogP: 2.3
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: 163

Physicochemical properties

Melting point: 75 · 75-78°C
Boiling point: 250.3 · 250.3±35.0 °C(Predicted)
Density: 1.936 · 1.936±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Methanol
pka: -5.53 · -5.53±0.20(Predicted)
form: Solid
color: Off-white
InChI: InChI=1S/C5H2BrClN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
InChIKey: VFMIDVIAQMFGGP-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(Cl)C=C1[N+]([O-])=O
CAS DataBase Reference: 75806 · 75806-86-9(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-41-38-22
Safety Statements: 26 · 26-36/37/39-39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.