Acetic acid, azido-, ethyl ester
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Basic information
- CAS
637-81-0- Standard SMILES
CCOC(=O)CN=[N+]=[N-]- InChIKey
HVJJYOAPXBPQQV-UHFFFAOYSA-N- Molecular formula
- C4H7N3O2
- Average molar mass
- 129.12 g/mol
- Monoisotopic mass
- 129.05382646
Names & identifiers
- Preferred name
- Acetic acid, azido-, ethyl ester
- IUPAC
- ethyl 2-azidoacetate
- English name
- Ethyl Azidoacetate
- Molecular formula
- C4H7N3O2
- Molecular weight
- 129.12
Names & synonyms
Ethyl azidoacetate637-81-0Azidoacetic acid ethyl esterAcetic acid, azido-, ethyl esterCCRIS 3368EINECS 211-301-3BRN 4247209DTXSID30213101NSC 84132RefChem:316550DTXCID90135592211-301-3
Show more names
azidoacetateazido-aceticaciethylesterDDYSYZETHYL AZIDOACETETHYLAZIDACETATEEthyl azidacetate 97%Cefazolin Impurity 37ethyl 2-azidoethanoate
Ethyl 2-azidoacetateAzido-acetic acid ethyl esterMFCD00190177Acetic acid, 2-azido-, ethyl esterEthylazidoacetateethyl azido-acetateethyl-2-azidoacetateethyl alpha-azidoacetate
Database identifiers
- CAS
637-81-0- PubChem CID
- 69480
- DTXSID
DTXSID30213101- EC Number
- 211-301-3
- Nikkaji
- J205.911H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 40.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Boiling point
- 44 · 44-46°C 2mm
- Density
- 1.12 g/ml · 1.12g/ml
- refractive index
- 1.433 to · 1.4330 to 1.4370
- Flash point
- 25 °C · 25 °C
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
- BRN
- 4247209 · 4247209
- InChI
- InChI=1S/C4H7N3O2/c1-2-9-4(8)3-6-7-5/h2-3H2,1H3
- InChIKey
- HVJJYOAPXBPQQV-UHFFFAOYSA-N
- SMILES
- C(=O)(OCC)CN=[N+]=[N-]
- CAS DataBase Reference
- 637 · 637-81-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (90.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 21 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (90.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- UN 1593 6.1/PG 3
- hs_code
- 2929.90.5090
- risk_code
- 1-40-36/37/38-10-67-65-63-48/20-38-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn,Xi,C,F
- hazard_note
- Irritant/Corrosive
- safety_code
- 7-16-26-35-36-47-62-45-36/37
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H315-H319-H336-H351
Chemistry & industry
Applications
UsesEthyl Azidoacetate is an important organic substance that can undergo cyclisation reactions and is commonly used in the field of chemical synthesis.The condensation of 1-methyl-β-carboline-3-carbaldehyde with ethyl azidoacetate can be used to prepare 2-formylxanthine derivatives[1].
Upstream & downstream products
Downstream products
Related reactions
173 records
Compound notes
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