Diiodoethane
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Basic information
- CAS
594-02-5- Standard SMILES
CC(I)I- InChIKey
JNVXRQOSRUDXDY-UHFFFAOYSA-N- Molecular formula
- C2H4I2
- Average molar mass
- 281.86 g/mol
- Monoisotopic mass
- 281.84024613
Names & identifiers
- Preferred name
- Diiodoethane
- IUPAC
- 1,1-diiodoethane
- English name
- 1,1-diiodoethane
- Molecular formula
- C2H4I2
- Molecular weight
- 281.86
Names & synonyms
DiiodoethaneRefChem:4099171,1-Diiodoethane594-02-51,1-diiodo-ethaneEINECS 209-821-0Ethane, 1,1-diiodo-SCHEMBL40927SCHEMBL959524SCHEMBL959526DTXSID70208117AAA59402
Show more names
unsym-DiiodoethaneeEthylidene diiodide1,1-Diiodoethane >=98.0% (GC)Ethane, 1,1-diiodo- (7CI,8CI,9CI)
AKOS0252955101,1-Diiodoethane, >=98.0% (GC)NS00034154Q161288
Database identifiers
- CAS
594-02-5- PubChem CID
- 68980
- DTXSID
DTXSID70208117- EC Number
- 209-821-0
- Nikkaji
- J6.771G
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 11.5
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 63.01 °C · 63.01°C (estimate)
- Boiling point
- 223.38 °C · 223.38°C (estimate)
- Density
- 2.76 · 2.7600
- refractive index
- 1.65 · 1.6500
- storage temp.
- -20 °C · -20°C
- form
- liquid
- BRN
- 1730848 · 1730848
- InChI
- 1S/C2H4I2/c1-2(3)4/h2H,1H3
- InChIKey
- JNVXRQOSRUDXDY-UHFFFAOYSA-N
- SMILES
- CC(I)I
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses1,1-diiodoethane is a reagent for methylcyclopropanation of alkenes and ethylidenation of carbonyl compounds.
Upstream & downstream products
Downstream products
Related reactions
9 records
Compound notes
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