1,3-Dichloro-2-fluoro-5-iodobenzene
- Iupac Name：1,3-dichloro-2-fluoro-5-iodobenzene
- CAS No.: 133307-08-1
- Molecular Weight：290.885
- Modify Date.: 2022-11-24 16:23
1. Names and Identifiers
- 1.1 Name
- 1,3-Dichloro-2-fluoro-5-iodobenzene
- 1.2 Synonyms
1,3-Dichloro-2-fluoro-5-iodobenzene 3,5-dichloro-4-fluoro-1-iodobenzene 3-Chloro-2-fluoro-5-iodophenol 5-Iodo-1,3-dichloro-2-fluorobenzene Benzene, 1,3-dichloro-2-fluoro-5-iodo-
- 1.3 CAS No.
- 133307-08-1
- 1.4 CID
- 19821778
- 1.5 Molecular Formula
- C6H2Cl2FI (isomer)
- 1.6 Inchi
- InChI=1S/C6H2Cl2FI/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
- 1.7 InChIkey
- UCQPKKMSAOKIEA-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1=C(C=C(C(=C1Cl)F)Cl)I
- 1.9 Isomers Smiles
- C1=C(C=C(C(=C1Cl)F)Cl)I
2. Properties
- 2.1 Density
- 2.083±0.06 g/cm3(Predicted)
- 2.1 Boiling point
- 261.3±35.0 °C(Predicted)
- 2.1 Refractive index
- 1.618
- 2.1 Flash Point
- 111.8±25.9 °C
- 2.1 PSA
- 0
- 2.1 logP
- 3.74
- 2.1 Solubility
- Insuluble (8.4E-4 g/L) (25 oC),
3. Computational chemical data
- Molecular Weight: 290.885g/mol
- Molecular Formula: C6H2Cl2FI
- Compound Is Canonicalized: True
- XLogP3-AA: 3.9
- Exact Mass: 289.85623
- Monoisotopic Mass: 289.85623
- Complexity: 110
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 0
- Heavy Atom Count: 10
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcQBgAQAGAgAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGQIgAAAACAKCECgwAIAAAACAACBCAAACAAAgBQAAiAAAAogIICKBExCAIAAggAAIiAcAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAAAAA==
4. Recommended Suppliers
-
- Products:finechemicals, pharmaceutical materials and intermediates, pesticides, dyes andbiochemical reagents.
- Tel:86-571-56123425
- Email:purchase@kieraychem.com
-
-
- Products:fluoro intermediates for APIs
- Tel:86-0-13641889200
-
5. Realated Product Infomation
skype
1YR
