4-chloropyridine hydrochloride

• ChemBase ID: 16191
• Molecular Formular: C5H5Cl2N
• Molecular Mass: 150.0059
• Monoisotopic Mass: 148.97990453
• SMILES: c1cnccc1Cl.Cl
• Canonical SMILES: Clc1ccncc1.Cl
• InChI: InChI=1S/C5H4ClN.ClH/c6-5-1-3-7-4-2-5;/h1-4H;1H
• InChIKey: XGAFCCUNHIMIRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloropyridine hydrochloride
• IUPAC Traditional name: 4-chloropyridine hydrochloride
• Synonyms: 4-Chloropyridine hydrochloride; 4-Chloropyridine hydrochloride 98%; 4-Chloropyridine hydrochloride; 4-氯吡啶 盐酸盐; 4-氯吡啶.盐酸盐

Database IDs

• CAS Number: 7379-35-3
• EC Number: 230-946-1
• MDL Number: MFCD00012829
• Beilstein Number: 3684904
• PubChem SID: 24855942; 24892922; 160979498
• PubChem CID: 81852

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3480719
• LogD (pH = 7.4): 1.3594704
• Log P: 1.3596181
• Molar Refractivity: 28.7059 cm^3
• Polarizability: 11.303121 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 208-210°C; 210 - 212°C; 210 °C (subl.)(lit.); 210°C(sub); ca 210°C subl.
• Flash Point: 198 °C; 198°C(388°F); 388.4 °F
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: US6300000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36; 22-36/37/38; R:22
• Safety Statements: 26; 26-36; S:36/37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H302-H319
• GHS Precautionary statements: P261-P305 + P351 + P338; P280F-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (AT); 95%; 97%; 98+%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C5H4ClN · HCl

DETAILS

MP Biomedicals - 05202640

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C70223

Packaging
25, 100 g in poly bottle

REFERENCES

• For a study of regioselective metallation reactions, see: Heterocycles, 35, 151 (1993).