ethyl 2-azidoacetate

• ChemBase ID: 151558
• Molecular Formular: C4H7N3O2
• Molecular Mass: 129.11728
• Monoisotopic Mass: 129.05382648
• SMILES: CCOC(=O)CN=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=NCC(=O)OCC
• InChI: InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
• InChIKey: HVJJYOAPXBPQQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-azidoacetate
• IUPAC Traditional name: ethyl 2-azidoacetate
• Synonyms: ethyl 2-azidoacetate; Ethyl azidoacetate solution; 叠氮乙酸乙酯 溶液

Database IDs

• CAS Number: 637-81-0
• MDL Number: MFCD00190177
• Beilstein Number: 4247209
• PubChem SID: 24886811; 24889903; 24889108; 162245711
• PubChem CID: 69480

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.16840704
• LogD (pH = 7.4): 0.16840704
• Log P: 0.28245267
• Molar Refractivity: 30.1561 cm^3
• Polarizability: 11.270645 Å^3
• Polar Surface Area: 55.73 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 25 °C; 44.6 °F; 7 °C; 77 °F
• Hydrophobicity(logP): 1.584

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1170; 1294; 1593
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 2; 3
• Risk Statements: 1-10; 1-40; 63-1-11-38-48/20-65-67
• Safety Statements: 16-35-36/37-62; 35; 35-36/37
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H225-H304-H315-H336-H361d-H373; H226; H351
• GHS Precautionary statements: P210-P261-P281-P301 + P310-P331; P281
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1170 3/PG 3; UN 1294 3/PG 2; UN 1593 6.1/PG 3

Product Information

• Purity: 95%
• Concentration: ~25% in ethanol (NMR); ~25% in toluene (NMR); ~30% in methylene chloride (NMR)
• Linear Formula: N3CH2COOCH2CH3

DETAILS

Sigma Aldrich - 88539

Packaging
50 mL in glass bottle

Sigma Aldrich - 93528

Packaging
25 mL in glass bottle

Sigma Aldrich - 77213

Packaging
25 mL in glass bottle