Ethyl 2-cyanoethanecarboximidate
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Basic information
- CAS
42003-88-3- Standard SMILES
CCOC(=N)CC#N- InChIKey
CJTDBBPQNDKTLR-UHFFFAOYSA-N- Molecular formula
- C5H8N2O
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.06366288
Names & identifiers
- Preferred name
- Ethyl 2-cyanoethanecarboximidate
- IUPAC
- ethyl 2-cyanoethanimidate
- English name
- Ethyl 2-cyanoethanimidoate
- Molecular formula
- C5H8N2O
- Molecular weight
- 112.13
Names & synonyms
ethyl 2-cyanoethanecarboximidateRefChem:594346839-139-442003-88-3ethyl 2-cyanoethanimidateethyl 2-cyanoethanimidoateethyl 2-cyanoacetimidateMFCD00664735ethyl(1e)-2-cyanoethanimidoateNSC82618ethyl2-cyanoethanimidoateethyl 2-cyano-acetimidate
Show more names
Ethanimidic acid, 2-cyano-, ethyl ester
ethyl (2-cyano)acetimidate3-ethoxy-3-iminopropanenitrileSCHEMBL3231036DTXSID10292439CJTDBBPQNDKTLR-UHFFFAOYSA-NNSC-82618AKOS005084666CS-0452410
Database identifiers
- CAS
42003-88-3- PubChem CID
- 256188
- DTXSID
DTXSID10292439- EC Number
- 839-139-4
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Melting point
- 78 · 78-79 °C
- Boiling point
- 102 · 102-103 °C(Press: 10 Torr)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 5.06 · 5.06±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H335-H318-H315-H312-H332
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H335-H318-H315-H312-H332
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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