1-Fluoro-4-(iodoethynyl)benzene
Basic information
- CAS
1246224-43-0- Standard SMILES
Fc1ccc(C#CI)cc1- InChIKey
MAAFUPAVUGONCD-UHFFFAOYSA-N- Molecular formula
- C8H4FI
- Average molar mass
- 246.02 g/mol
- Monoisotopic mass
- 245.93418
Names & identifiers
- Preferred name
- 1-Fluoro-4-(iodoethynyl)benzene
- IUPAC
- 1-fluoro-4-(2-iodoethynyl)benzene
- English name
- 4-Fluoro-(2-iodoethynyl)benzene
- Molecular formula
- C8H4FI
- Molecular weight
- 246.02
Names & synonyms
1246224-43-01-fluoro-4-(iodoethynyl)benzene4-Fluoro-(2-iodoethynyl)benzene1-fluoro-4-(2-iodoethynyl)benzene4-Fluoro-1-(iodoethynyl)benzeneMFCD26960815SCHEMBL4597614AT14285SY3189434-Fluoro-(2-iodoethynyl)benzene, AldrichCPRBenzene, 1-fluoro-4-(2-iodoethynyl)-4-Fluoro-(2-iodoethynyl)benzene - [F1901]
Database identifiers
- CAS
1246224-43-0- PubChem CID
- 53328834
- EC Number
- 109-293-0
- Nikkaji
- J3.267.586G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 229.1 · 229.1±32.0 °C(Predicted)
- Density
- 1.87 · 1.87±0.1 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C8H4FI/c9-8-3-1-7(2-4-8)5-6-10/h1-4H
- InChIKey
- MAAFUPAVUGONCD-UHFFFAOYSA-N
- SMILES
- FC1=CC=C(C#CI)C=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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