(6-chloropyridin-3-yl)methanamine

• ChemBase ID: 37148
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: n1c(Cl)ccc(c1)CN
• Canonical SMILES: NCc1ccc(nc1)Cl
• InChI: InChI=1S/C6H7ClN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H,3,8H2
• InChIKey: XPARFBOWIYMLMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloropyridin-3-yl)methanamine
• IUPAC Traditional name: (6-chloropyridin-3-yl)methanamine
• Synonyms: 6-Chloro-3-picolylamine; 5-Aminomethyl-2-chloropyridine; 5-(Aminomethyl)-2-chloropyridine; (6-Chloropyridin-3-yl)methylamine; 5-(Aminomethyl)-2-chloropyridine 90+%; 5-(AMINOMETHYL)-2-CHLOROPYRIDINE; (6-chloropyridin-3-yl)methylamine; [(6-Chloropyridin-3-yl)methyl]amine; 5-氨基甲基-2-氯吡啶

Database IDs

• CAS Number: 97004-04-1; 120739-84-6
• MDL Number: MFCD00673153
• Beilstein Number: 8308740
• PubChem SID: 161000455; 24878125
• PubChem CID: 7020927

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.227972
• LogD (pH = 7.4): -1.0033908
• Log P: 0.70556366
• Molar Refractivity: 38.2406 cm^3
• Polarizability: 14.723129 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C; 27-32°C; 28-34 °C; 28-34°C
• Boiling Point: 101-102°C/1mm
• Hydrophobicity(logP): 0.394

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Toxic/Corrosive/Hygroscopic/Store under Argon
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 2811; UN3259
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 3; III
• Risk Statements: 25-37/38-41-43; 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H317-H318-H335; H314-H318
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H7ClN2

DETAILS

Sigma Aldrich - 536008

Packaging
5, 25 g in glass bottle