2-chloro-3-nitropyridine

• ChemBase ID: 13769
• Molecular Formular: C5H3ClN2O2
• Molecular Mass: 158.54252
• Monoisotopic Mass: 157.98830503
• SMILES: c1(c(nccc1)Cl)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cccnc1Cl
• InChI: InChI=1S/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H
• InChIKey: UUOLETYDNTVQDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-nitropyridine
• IUPAC Traditional name: 2-chloro-3-nitropyridine
• Synonyms: 2-Chloro-3-nitropyridine; 2-Chloro-3-nitro-pyridine; 2-Chloro-3-nitropyridine; 2-氯-3-硝基吡啶

Database IDs

• CAS Number: 5470-18-8; 34515-82-7
• EC Number: 226-799-8
• MDL Number: MFCD00006232
• Beilstein Number: 124482
• PubChem SID: 24855501; 24892843; 160977076
• PubChem CID: 79613

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5197794
• LogD (pH = 7.4): 1.5197794
• Log P: 1.5197794
• Molar Refractivity: 36.0877 cm^3
• Polarizability: 13.411895 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-103 °C; 100-103 °C(lit.); 100-103°C; 101-103°C; 99-103°C
• Flash Point: 185 °C; 185°C; 185°C(365°F); 365 °F

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT, KEEP COLD
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26; 26-36/37
• TSCA Listed: true; 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P280H-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥97.0% (HPLC); 97%; 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H3ClN2O2

DETAILS

MP Biomedicals - 05214231

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C61607

Packaging
25 g in poly bottle
5 g in glass bottle