Basic information
- CAS
17999-71-2- Standard SMILES
CCOC(=O)/C(C#N)=C/c1cccnc1- InChIKey
BMMBXBIFKMYOLF-UXBLZVDNSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- Ethyl 2-cyano-3-(3-pyridinyl)acrylate
- IUPAC
- ethyl (E)-2-cyano-3-pyridin-3-ylprop-2-enoate
- English name
- Ethyl 2-Cyano-3-(3-pyridyl)acrylate
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
103011-95-6ethyl 2-cyano-3-(3-pyridinyl)acrylate17999-71-2Ethyl 2-Cyano-3-(3-pyridyl)acrylateEthyl 2-cyano-3-(pyridin-3-yl)acrylateethyl (2E)-2-cyano-3-(pyridin-3-yl)prop-2-enoate(E)-Ethyl 2-cyano-3-(pyridin-3-yl)acrylateethyl (E)-2-cyano-3-pyridin-3-ylprop-2-enoate2-Propenoic acid, 2-cyano-3-(3-pyridinyl)-, ethyl ester, (2E)-Ethyl (2E)-2-cyano-3-(3-pyridinyl)acrylateSCHEMBL31757744AC7727
Show more names
Ethyl 2-cyano-3-(3-pyridinyl)-2-propenoate2-Propenoic acid, 2-cyano-3-(3-pyridinyl)-, ethyl ester
STK885476AKOS000530832NCGC00320585-01(E)-Ethyl2-cyano-3-(pyridin-3-yl)acrylateCS-0318403AB01314990-022Y-0936
Database identifiers
- CAS
17999-71-2- PubChem CID
- 736274
- EC Number
- 163-723-1
- Nikkaji
- J2.094.295I
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
- 78 · 78-80 °C
- Boiling point
- 348.7 · 348.7±32.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 2.84 · 2.84±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers9 total
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
天津康利欣科技有限公司18622939839 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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