Basic information
- CAS
115324-60-2- Standard SMILES
COC(=O)C(C#N)=Cc1ccc[nH]1- InChIKey
WYRPCJJCKOHWCM-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoate
- IUPAC
- methyl 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoate
- English name
- methyl (2E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoate
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
DTXSID101248082Methyl 2-cyano-3-(1H-pyrrol-2-yl)-2-propenoateRefChem:814342DTXCID401678909115324-60-2methyl 2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoateAKOS024341032METHYL ALPHA-CYANO-2-PYRROLEACRYLATEmethyl (2E)-2-cyano-3-(1H-pyrrol-2-yl)prop-2-enoate2-Propenoic acid, 2-cyano-3-(1H-pyrrol-2-yl)-, methyl ester
Database identifiers
- CAS
115324-60-2- PubChem CID
- 255677
- DTXSID
DTXSID101248082- EC Number
- 661-451-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 366.6 · 366.6±32.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 15.72 · 15.72±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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