Basic information
- CAS
103011-95-6- Standard SMILES
CCOC(=O)C(C#N)=Cc1cccnc1- InChIKey
BMMBXBIFKMYOLF-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-cyano-3-(3-pyridinyl)-, ethyl ester
- IUPAC
- ethyl 2-cyano-3-pyridin-3-ylprop-2-enoate
- English name
- Ethyl 2-cyano-3-(3-pyridinyl)acrylate
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
17999-71-2Ethyl 2-Cyano-3-(3-pyridyl)acrylateMFCD005646222-Propenoic acid, 2-cyano-3-(3-pyridinyl)-, ethyl esterethyl 2-cyano-3-pyridin-3-ylprop-2-enoateETHYL 2-NITRILO-3-(3-PYRIDYL)PROP-2-ENOATEethyl 2-cyano-3-(pyridin-3-yl)prop-2-enoateDTXSID50352985AKOS017083047AB04282SY021408DB-370239
Show more names
RARECHEM AK ML 0017Ethyl 2-cyano-3-(3-pyridinyl)acrylateethyl (2E)-2-cyano-3-(3-pyridinyl)-2-propenoate2-Propenoic acid, 2-cyano-3-(3-pyridinyl)-, ethyl ester, (2E)-
ethyl 2-cyano-3-(3-pyridyl)prop-2-enoateF980123
Database identifiers
- CAS
103011-95-6、17999-71-2- PubChem CID
- 736273
- DTXSID
DTXSID50352985- EC Number
- 163-723-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 67 · 67-70°C
- Boiling point
- 348.715 · 348.715±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.825 · 2.825±0.11(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
天津康利欣科技有限公司18622939839 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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