Basic information
- CAS
31930-36-6- Standard SMILES
CCOC(=O)/C=C\I- InChIKey
AELYFQSZXFFNGP-ARJAWSKDSA-N- Molecular formula
- C5H7IO2
- Average molar mass
- 226.01 g/mol
Names & identifiers
- Preferred name
- ethyl (2Z)-3-iodoprop-2-enoate
- IUPAC
- ethyl (Z)-3-iodoprop-2-enoate
- English name
- CIS-3-IODOACRYLIC ACID ETHYL ESTER
- Molecular formula
- C5H7IO2
- Molecular weight
- 226.01
Names & synonyms
31930-36-6ethyl (2Z)-3-iodoprop-2-enoateRefChem:593068627-621-5(Z)-Ethyl 3-iodoacrylateEthyl cis-3-iodoacrylatecis-3-Iodoacrylic Acid Ethyl EsterMFCD00209584ethyl (Z)-3-iodoprop-2-enoateethyl (z)-3-iodoacrylateethyl (2Z)-3-iodoacrylateSCHEMBL2584885
Show more names
ethyl (Z)-3-iodopropenoateEthyl cis-3-iodoacrylate 98%Ethyl cis-3-Iodoacrylate Ethyl cis-3-iodoacrylate(Z)-Ethyl 3-iodoacrylate - [E92238]
AKOS024386598C5H7IO22-(1-Hydroxycyclohexyl)-2-(3-(((2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl)amino)methyl)-4-methoxyphenyl)acetonitrileI0502(Z)-ethyl-3-iodoac2-propenoic acid, 3-iodo-, ethyl ester, (2Z)-(Z)-ethyl-3-iodoacrylate(z)-ethyl-3-iodo-acrylate
Database identifiers
- CAS
31930-36-6- PubChem CID
- 643843
- EC Number
- 627-621-5
- Nikkaji
- J469.867C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.6
Physicochemical properties
- Boiling point
- 85 °C/20 · 85 °C/20 mmHg (lit.)
- Density
- 1.765 g/mL · 1.765 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.533(lit.)
- Flash point
- 210 °F · 210 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Ethyl Acetate (Slightly)
- form
- Oil
- color
- Clear Colourless
- InChI
- 1S/C5H7IO2/c1-2-8-5(7)3-4-6/h3-4H,2H2,1H3/b4-3-
- InChIKey
- AELYFQSZXFFNGP-ARJAWSKDSA-N
- SMILES
- [H]\C(I)=C(/[H])C(=O)OCC
- CAS DataBase Reference
- 31930 · 31930-36-6
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 41 reports by companies from 4 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
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29161900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl cis-3-iodoacrylate may be used in the synthesis of the following:vinyl sulfides(Z)-1-iodohept-1-en-3-ol(E)-1-iodohept-1-en-3-ol(Z)-β-iodoacrolein6-oxo-M1Guo
UsesEthyl Cis-3-iodoacrylate is a reactant used in the synthesis of complex naphtho(benzo)furans as well as in the cobalt-catayzed cross coupling of functionalized organozinc pivalates.
General DescriptionEthyl cis-3-iodoacrylate (cis-ethyl-β-iodoacrylate, ethyl (Z)-β-iodoacrylate) is Z-vinyl iodide derivative. It is reported to be prepared from ethyl propiolate by treating with sodium iodide. Its Suzuki coupling reaction with cyclic vinyl boronic acids has been studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers55 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖北科乐精细化工有限公司
Related reactions
15 records
Compound notes
Loading…