3-Bromo-2-chloro-5-nitropyridine

HCID 230889

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Basic information

CAS: 5470-17-7
Standard SMILES: O=[N+]([O-])c1cnc(Cl)c(Br)c1
InChIKey: PTTQIUHVDDBART-UHFFFAOYSA-N
Molecular formula: C5H2BrClN2O2
Average molar mass: 237.44 g/mol
Monoisotopic mass: 235.89882

Names & identifiers

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

Names & synonyms

3-Bromo-2-chloro-5-nitropyridine5470-17-7DTXSID70282513RefChem:93116DTXCID70233666640-176-12-chloro-3-bromo-5-nitropyridine3-Bromo-2-chloro-5-nitro-pyridineMFCD00233989Pyridine, 3-bromo-2-chloro-5-nitro-NSC26278SCHEMBL116805

Show more names

5-Chloro-4-hydroxypyridine2-Chloro-3-bromopyridine-5-nitro2-Chloro-5-nitro-3-bromo pyridine3-Bromo-2-chloro-5-nitropyridine 98%3-Bromo-2-chloro-5-nitropyridine >2 - chloro - 3 - broMine - 5 - nitro pyridine

SCHEMBL3491271PTTQIUHVDDBART-UHFFFAOYSA-NCS-D0768NSC 26278NSC-26278SBB0653532 - Chloro-3-Bromo-5-NitropyridineAKOS000538774

Database identifiers

CAS: 5470-17-7
PubChem CID: 230889
DTXSID: DTXSID70282513
EC Number: 640-176-1
Nikkaji: J3.457.219D

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: 54 · 54-58
Boiling point: 293.8 · 293.8±35.0 °C(Predicted)
Density: 1.936 · 1.936±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to crystal
pka: -4.99 · -4.99±0.10(Predicted)
color: Light yellow to Brown to Dark green
InChI: InChI=1S/C5H2BrClN2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H
InChIKey: PTTQIUHVDDBART-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C([N+]([O-])=O)C=C1Br
CAS DataBase Reference: 5470 · 5470-17-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H318
Precautionary statements: 280 · P280-P301+P310+P330-P305+P351+P338+P310
Hazard Codes: Xi,T
Risk Statements: 25 · 25-41
Safety Statements: 26 · 26-39-45
RIDADR: 2811 · 2811
WGK Germany: 1 · 1
HazardClass: IRRITANT
PackingGroup: Ⅲ
HS Code: 2933399990 · 2933399990
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralEye · Acute Tox. 3 OralEye Dam. 1
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

wgk: 1
ridadr: 2811
hs_code: 2933399990
risk_code: 25-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: Xi,T
safety_code: 26-39-45
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: Ⅲ
Hazard statements: H301-H318
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
Precautionary statements: P280-P301+P310+P330-P305+P351+P338+P310

Chemistry & industry

Applications

Uses3-Bromo-2-chloro-5-nitropyridine is a raw material for the preparation of other organic substances and can be used as a reagent or intermediate component in organic synthesis.