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Basic information
- CAS
17376-04-4- Standard SMILES
ICCc1ccccc1- InChIKey
KVTHPKXDLVYNCH-UHFFFAOYSA-N- Molecular formula
- C8H9I
- Average molar mass
- 232.06 g/mol
- Monoisotopic mass
- 231.9749
Names & identifiers
- Preferred name
- Benzene, (2-iodoethyl)-
- IUPAC
- 2-iodoethylbenzene
- English name
- (2-IODOETHYL)BENZENE
- Molecular formula
- C8H9I
- Molecular weight
- 232.06
Names & synonyms
Benzene, (2-iodoethyl)-AI3-52406RefChem:562111(2-IODOETHYL)BENZENE17376-04-42-Iodoethylbenzene2-Phenylethyl iodidePhenethyl iodideMFCD00039408DTXSID5025447(2-iodoethyl) benzene(2-Iodoethyl)-benzene
Show more names
benzenethyliodo(2-iodoethyl)-benzenB-PHENYLETHYL IODIDE1-Iodo-2-phenylethanebeta-Phenethyl iodide(2-lodoethyl )BenzeneBETA-PHENYLETHYL IODIDE
.beta.-Phenethyl iodideIodoethyl benzenephenethyliodidep-iodoethylbenzenephenylethyl iodide4-iodoethylbenzene(2-iodo-ethyl)benzene.beta.-Phenylethyl iodide
Database identifiers
- CAS
17376-04-4- PubChem CID
- 28503
- DTXSID
DTXSID5025447- ChEMBL
CHEMBL1472377- Nikkaji
- J104.341B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Physicochemical properties
- Melting point
- -2.9 °C · -2.9°C (estimate)
- Boiling point
- 122 · 122-123 °C/13 mmHg (lit.)
- Density
- 1.603 g/mL · 1.603 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.601(lit.)
- Flash point
- 230 °F · 230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- Liquid
- color
- Clear red-brown
- Specific Gravity
- 1.603 · 1.603
- InChI
- InChI=1S/C8H9I/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChIKey
- KVTHPKXDLVYNCH-UHFFFAOYSA-N
- SMILES
- C1(CCI)=CC=CC=C1
- CAS DataBase Reference
- 17376 · 17376-04-4(CAS DataBase Reference)
- EPA Substance Registry System
- Benzene, (2-iodoethyl)- (17376-04-4)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29036990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (2-iodoethyl)-: INACTIVE
Applications
Uses(2-Iodoethyl)benzene is suitable for use as starting reagent in the preparation of organic-inorganic hybrid compounds such as, [C6H5CH2NH3]2PbI4, [C6H5CH2CH2SC(NH2 )2]3PbI5 and [C10H7CH2NH3]PbI3. It may be used in the preparation of dioxane-based antiviral agents.
General Description(2-Iodoethyl)benzene is a halogenated hydrocarbon. It is reported to undergo triethyl borane-mediated intermolecular radical addition with 2H-azirine-3-carboxylate.
Upstream & downstream products
Downstream products
Suppliers72 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海泰矶林实业有限公司
Related reactions
19 records
Compound notes
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