CAS 607373-83-1 2-Chloro-4-methoxy-5-nitropyridine (HCID 44119673)

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Basic information

CAS: 607373-83-1
Standard SMILES: COc1cc(Cl)ncc1[N+](=O)[O-]
InChIKey: IDLQBYAYVNBGGL-UHFFFAOYSA-N
Molecular formula: C6H5ClN2O3
Average molar mass: 188.57 g/mol
Monoisotopic mass: 187.9988697

Names & identifiers

Preferred name: 2-Chloro-4-methoxy-5-nitropyridine
IUPAC: 2-chloro-4-methoxy-5-nitropyridine
English name: 2-Chloro-4-methoxy-5-nitropyridine
Molecular formula: C6H5ClN2O3
Molecular weight: 188.57

Names & synonyms

2-CHLORO-4-METHOXY-5-NITROPYRIDINE607373-83-1DTXSID30657369RefChem:86241DTXCID30608119688-384-1MFCD099079612-chloro-4-methoxy-5-nitro-pyridinePyridine, 2-chloro-4-methoxy-5-nitro-FD7394SY065420BCP14720

Show more names

2-Chloro-5-Nitro-4-Methoxy pyridine2-Chloro-4-methoxy-5-nitropyridine ISO 9001：2015 REACHPyridine,2-chloro-4-Methoxy-5-nitro-2-Chloro-4-methoxy-5-nitropyridine

Pyridine,2-chloro-4-methoxy-5-nitro-SCHEMBL1100650SCHEMBL29811740STL5549632-chloro-4-methoxy-5-nitro pyridineAKOS005257069PS-5609AU-004/43501621

Database identifiers

CAS: 607373-83-1
PubChem CID: 44119673
DTXSID: DTXSID30657369
EC Number: 688-384-1

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 173

Physicochemical properties

Boiling point: 311.6 · 311.6±37.0 °C(Predicted)
Density: 1.445 · 1.445±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.11 · -2.11±0.10(Predicted)
form: crystals
color: White
InChI: InChI=1S/C6H5ClN2O3/c1-12-5-2-6(7)8-3-4(5)9(10)11/h2-3H,1H3
InChIKey: IDLQBYAYVNBGGL-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C([N+]([O-])=O)C(OC)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 271 · P271-P261-P280
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.