2-Bromo-3-methyl-5-nitropyridine

HCID 5200466

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Basic information

CAS: 23132-21-0
Standard SMILES: Cc1cc([N+](=O)[O-])cnc1Br
InChIKey: FZIQHPKXSLHGBZ-UHFFFAOYSA-N
Molecular formula: C6H5BrN2O2
Average molar mass: 217.02 g/mol
Monoisotopic mass: 215.9534395

Names & identifiers

Preferred name: 2-Bromo-3-methyl-5-nitropyridine
IUPAC: 2-bromo-3-methyl-5-nitropyridine
English name: 2-Bromo-3-methyl-5-nitropyridine
Molecular formula: C6H5BrN2O2
Molecular weight: 217.02

Names & synonyms

2-Bromo-3-methyl-5-nitropyridine23132-21-0FZIQHPKXSLHGBZ-UHFFFAOYSA-DTXSID10409464RefChem:85678DTXCID80360316677-832-1InChI=1/C6H5BrN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H32-Bromo-5-nitro-3-picolinePyridine, 2-bromo-3-methyl-5-nitro-MFCD030950652-bromo-3-methyl-5-nitro-pyridine

Show more names

2-Hydorxy-5-Nitro-3-Picoline6-Bromo-5-methyl-3-nitropyridine2-Bromo-3-methyl-5-nitropyridine >2-Bromo-3-methyl-5-nitropyridine ISO 9001：2015 REACH2-HYDROXY-5-NITRO-3-PICOLINE (2-HYDROXY-3-METHYL-5-NITROPYRIDINE)

SCHEMBL1028847CS-D0964SBB013972STK688508AKOS005257074PS-4855AC-15194SY004384

Database identifiers

CAS: 23132-21-0
PubChem CID: 5200466
DTXSID: DTXSID10409464
EC Number: 677-832-1
Nikkaji: J2.645.234A

Properties

Computed structural properties

XLogP: 2.1
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: 159

Physicochemical properties

Melting point: 57 · 57-58°C
Boiling point: 305.1 · 305.1±37.0 °C(Predicted)
Density: 1.709 · 1.709±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: soluble in Methanol
pka: -2.95 · -2.95±0.20(Predicted)
Appearance: Light yellow to yellow Solid
BRN: 1565441 · 1565441
InChI: InChI=1S/C6H5BrN2O2/c1-4-2-5(9(10)11)3-8-6(4)7/h2-3H,1H3
InChIKey: FZIQHPKXSLHGBZ-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C([N+]([O-])=O)C=C1C
CAS DataBase Reference: 23132 · 23132-21-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H312-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280h-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-21/22
Safety Statements: 26 · 26-36-36/37
HazardClass: IRRITANT
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (83.3%): 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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (83.3%)

Safety data

hs_code: 29333990
risk_code: 36/37/38-21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-36/37
hazard_class: IRRITANT
Hazard statements: H315-H319-H302-H312-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280h-P305+P351+P338