7-Fluoro-4-chromanone
- Iupac Name：7-fluoro-2,3-dihydrochromen-4-one
- CAS No.: 113209-68-0
- Molecular Weight：166.15
- Modify Date.: 2022-11-25 07:05
1. Names and Identifiers
- 1.1 Name
- 7-Fluoro-4-chromanone
- 1.2 Synonyms
3,4-dihydro-7-fluoro-2H-1-benzopyran-4-one 4H-1-BENZOPYRAN-4-ONE, 7-FLUORO-2,3-DIHYDRO- 4H-1-Benzopyran-4-one,7-fluoro-2,3-dihydro 6-fluoro-3,4-dihydro-2H-1-benzopyran-4-one 7-Fluoro-2,3-dihydro-4H-chromen-4-one 7-Fluoro-2,3-dihydrochromen-4-one 7-Fluoro-4-chromanone 7-fluoro-chroman-4-one 7-FLUOROCHROMAN-4-ONE 7-Fluorochroman-4-one, sum of isomers
- 1.3 CAS No.
- 113209-68-0
- 1.4 CID
- 14653132
- 1.5 Molecular Formula
- C9H7FO2 (isomer)
- 1.6 Inchi
- InChI=1S/C9H7FO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2
- 1.7 InChkey
- HRPULQFHSZKTNA-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- C1COC2=C(C1=O)C=CC(=C2)F
- 1.9 Isomers Smiles
- C1COC2=C(C1=O)C=CC(=C2)F
2. Properties
- 2.1 Density
- 1.297
- 2.1 Melting point
- 46-50℃
- 2.1 Boiling point
- 281.9°C at 760 mmHg
- 2.1 Refractive index
- 1.539
- 2.1 Flash Point
- 120.5°C
- 2.1 Precise Quality
- 166.04300
- 2.1 PSA
- 26.30000
- 2.1 logP
- 1.79090
- 2.1 Appearance
- Not Available
- 2.2 Storage
- Ambient temperatures.
- 2.3 StorageTemp
- Sealed in dry,Room Temperature
3. Safety and Handling
- 3.1 Hazard Codes
- Xn
- 3.1 Risk Statements
- 36/37/38
- 3.1 Safety Statements
- 26-36/37/39
- 3.1 Safety
-
Risk Statements: 36/37/38|
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
- 3.2 Specification
-
4H-1-Benzopyran-4-one,7-fluoro-2,3-dihydro- , its cas register number is 113209-68-0. It also can be called 7-Fluoro-2,3-dihydro-4H-chromen-4-one ; 7-Fluoro-4-chromanone . 4H-1-Benzopyran-4-one,7-fluoro-2,3-dihydro- (CAS NO.113209-68-0) is irritating to eyes, respiratory system and skin.
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H302 Harmful if swallowed |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. |
| Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. |
| Storage | none |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Synthesis Route
113209-68-0Total: 6 Synthesis Route
7. Computational chemical data
- Molecular Weight: 166.15g/mol
- Molecular Formula: C9H7FO2
- Compound Is Canonicalized: True
- XLogP3-AA: 1.5
- Exact Mass: 166.04300762
- Monoisotopic Mass: 166.04300762
- Complexity: 193
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 26.3
- Heavy Atom Count: 12
- 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: AAADcYBwMQAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAGwAAAAAADASgmAowBoAABACIAqBSAAACCAAkIAAIiAEGCMgMJjaENRqCOWCk4BEIqYeIyKCOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA==
8. Recommended Suppliers
-
- Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
- Tel:86-185-31123677
- Email:xing@yan-xi.com
-
- Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
- Tel:86-592-8883942
- Email:sale@amitychem.com
-
- Products:Chemical products
- Tel:86-571-88938639
- Email:sales-gc@dycnchem.com
-
- Products:Pharmaceutical raw materials,Chemical reagent, Food aditives,Plant ExtracPharmaceutical and pesticide intermediates.
- Tel:86-431-81915458
-
- Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
- Tel:86-21-61124658
9. Realated Product Infomation
skype
5YRS
