(2H5)pyridine

• ChemBase ID: 106234
• Molecular Formular: C5H5N
• Molecular Mass: 79.0999
• Monoisotopic Mass: 79.04219917
• SMILES: c1ccncc1
• Canonical SMILES: c1cccnc1
• InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H
• InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)pyridine
• IUPAC Traditional name: (^2H₅)pyridine
• Synonyms: Pyridine-d; PYRIDINE-D₅; Pentadeuteropyridine; Pyridine-d5; 氘代吡啶; 吡啶-d5

Database IDs

• CAS Number: 7291-22-7
• EC Number: 230-720-2; 203-720-2
• MDL Number: MFCD00044639
• Beilstein Number: 114377
• PubChem SID: 24877748; 24849223; 24877931; 24867390; 24854206; 24877930; 24858695; 24874257; 24854202; 24850705; 24877932; 24853972; 162092921; 24867391
• PubChem CID: 558519

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 23.9011 cm^3
• Polarizability: 9.4423685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid; Liquid in prescored ampoules, 0.5ml/ampoule; Liquid in prescored ampoules, 1ml/ampoule
• Melting Point: -42°C
• Boiling Point: 114.4 °C(lit.); 115°C
• Flash Point: 17 °C; 20°C(68°F); 62.6 °F
• Density: 1.05; 1.05 g/mL at 25 °C(lit.)
• Refractive Index: 1.506; n20/D 1.506(lit.)
• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1282; UN1282
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22
• Safety Statements: 26-28
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H332; H225-H302-H312-H332
• GHS Precautionary statements: P210-P280; P210-P301+P310-P303+P361+P353-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves
• RID/ADR: UN 1282 3/PG 2

Product Information

• Purity: 99.5%; 99.94%
• Isotopic Purity: 99 atom % D; 99.5 atom % D; 99.96 atom % D
• Packaging: pk of 10 × 0.5 mL; pk of 10 × 0.6 mL; pk of 10 × 0.75 mL; pk of 10 × 1 mL; pk of 5 × 0.5 mL
• Contains: 0.03 % (v/v) TMS; 1 % (v/v) TMS
• Mol. Weight: mol wt 84.14
• Empirical Formula (Hill Notation): C5D5N

DETAILS

MP Biomedicals - 02510854

C₅D₅N
Purity: 99.94% D atom

MP Biomedicals - 02510735

C₅D₅N
Purity: 99.5% D atom

Sigma Aldrich - 437719

Packaging
25 g in glass bottle

Sigma Aldrich - 177970

Packaging
1, 5 g in ampule
10×0.5, 10×0.75 mL in ampule

Sigma Aldrich - 152323

Packaging
10 g in ampule
25 g in glass bottle

Sigma Aldrich - 700185

Packaging
10×0.6 mL in ampule

Sigma Aldrich - 532975

Packaging
5, 10, 25 g in glass bottle

Sigma Aldrich - 532983

Packaging
10×0.6 mL in ampule

Sigma Aldrich - 532967

Packaging
25 g in glass bottle
5, 10 g in ampule

Sigma Aldrich - 437700

Packaging
1 g in ampule

Sigma Aldrich - 236993

Packaging
10×0.5 mL in ampule