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2-Fluoro-5-iodobenzonitrile - 97%, high purity , CAS No.351003-36-6
Basic Description
Synonyms | 2-Fluoro-5-iodobenzonitrile | 351003-36-6 | 2-fluoro-5-iodo-benzonitrile | Benzonitrile, 2-fluoro-5-iodo- | MFCD03094225 | 2-fluoro-5-iodobenzonitirile | SCHEMBL301704 | DTXSID70381196 | BIZHQRAAZMDWNK-UHFFFAOYSA-N | 2-Fluoro-5-iodobenzonitrile, 97% | CK2142 | AKOS005063927 | AC |
Specifications & Purity | ≥97% |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 488193804 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488193804 |
IUPAC Name | 2-fluoro-5-iodobenzonitrile |
INCHI | InChI=1S/C7H3FIN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H |
InChi Key | BIZHQRAAZMDWNK-UHFFFAOYSA-N |
Canonical SMILES | C1=CC(=C(C=C1I)C#N)F |
Isomeric SMILES | C1=CC(=C(C=C1I)C#N)F |
WGK Germany | 3 |
PubChem CID | 2778928 |
UN Number | 3439 |
Molecular Weight | 247.01 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity | Light Sensitive |
Melt Point(°C) | 68-72°C |
Molecular Weight | 247.010 g/mol |
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XLogP3 | 2.400 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 2 |
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Rotatable Bond Count | 0 |
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Exact Mass | 246.929 Da |
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Monoisotopic Mass | 246.929 Da |
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Topological Polar Surface Area | 23.800 Ų |
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Heavy Atom Count | 10 |
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Formal Charge | 0 |
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Complexity | 162.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H302:Harmful if swallowed H312:Harmful in contact with skin H332:Harmful if inhaled |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P317:Get emergency medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. |
WGK Germany | 3 |
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