Basic information
- CAS
3849-21-6- Standard SMILES
CCOC(=O)/C(C#N)=N/O- InChIKey
LCFXLZAXGXOXAP-QPJJXVBHSA-N- Molecular formula
- C5H6N2O3
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.03784206
Names & identifiers
- Preferred name
- Ethyl cyano(hydroxyimino)acetate
- IUPAC
- ethyl (2E)-2-cyano-2-hydroxyiminoacetate
- English name
- oxyma
- Molecular formula
- C5H6N2O3
- Molecular weight
- 142.11
Names & synonyms
Ethyl cyano(hydroxyimino)acetateEINECS 223-351-3AI3-51983Acetic acid, cyano(hydroxyimino)-, ethyl esterNSC 41021NSC 42116NSC 137667RefChem:596160223-351-3Ethyl cyanoglyoxylate-2-oxime(E)-ethyl 2-cyano-2-(hydroxyimino)acetateEthyl (hydroxyimino)cyanoacetate
Show more names
Oxyma PureOxiMaethyl (2E)-2-cyano-2-hydroxyimino-acetateOxima PureOxyma Pure NovabiochemETHYL CYANOGLYOXALATE-2-OXIMECyano-hydroxyiMino-acetic acid ethyl ester (OxyMa)oxyma
Ethyl isonitrosocyanoacetateethyl (E)-2-cyano-2-(hydroxyimino)acetateEthyl oximinocyanoacetateethyl (2E)-2-cyano-2-hydroxyiminoacetateMFCD00002112(E)-(ethyl cyano(hydroxyimino)formate)ethyl (2E)-cyano(hydroxyimino)acetateacetic acid, cyano(hydroxyimino)-, ethyl ester, (2E)-
Database identifiers
- CAS
3849-21-6、56503-39-0- PubChem CID
- 6400537
- DTXSID
DTXSID701268244- UNII
- MY8WMF6YC5
- EC Number
- 223-351-3
- Nikkaji
- J217.715C、J296.696D
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 130 · 130-132 °C (lit.)
- Boiling point
- 259.65 °C · 259.65°C (rough estimate)
- Density
- 1.4801 · 1.4801 (rough estimate)
- refractive index
- 1.509 · 1.5090 (estimate)
- storage temp.
- 2 °C · Store at +2°C to +8°C.
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 6.18 · 6.18±0.10(Predicted)
- color
- Off-White
- BRN
- 774783 · 774783
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3
- InChIKey
- LCFXLZAXGXOXAP-QPJJXVBHSA-N
- SMILES
- C(OCC)(=O)C(C#N)=NO
- CAS DataBase Reference
- 3849 · 3849-21-6(CAS DataBase Reference)
- FDA UNII
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
This chemical does not meet GHS hazard criteria for 7.1% (2 of 28) of reports.
Warning
H302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Ethyl cyano(hydroxyimino)acetate (EC: 223-351-3)
Hazard Classes and CategoriesAcute Tox. 4 (85.7%)
Safety data
- F
- 10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2928 00 90
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 22-24/25-36/37
- hazard_class
- 6.1
- Storage Class
Chemistry & industry
Applications
UsesA non-explosive alternative to HOBt.
UsesThis product is a non-explosive alternative to HOBt or HOAt, and allows high peptide coupling rates at low racemization when applied in combination with carbodiimides.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州兴华高新材料科技有限公司13816002113 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
Related reactions
5 records
Compound notes
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