Basic information
- CAS
68367-52-2- Standard SMILES
O=C1NC(=O)C2(CCOc3ccc(F)cc32)N1- InChIKey
LXANPKRCLVQAOG-UHFFFAOYSA-N- Molecular formula
- C11H9FN2O3
- Average molar mass
- 236.2 g/mol
Overview
See also: Sorbinil (annotation moved to).
Names & identifiers
- Preferred name
- 6-Fluoro-4-chromanone hydantoin
- IUPAC
- 6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
- English name
- 6-Fluoro-4-chromanone hydantoin
- Molecular formula
- C11H9FN2O3
- Molecular weight
- 236.2
Names & synonyms
6-Fluoro-4-chromanone hydantoin69684-83-96-Fluoro-4-chromanonehydantoin6-fluorochroman-4-one hydantoinMFCD015692476-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2',5'-dione6-fluorospiro[chromane-4,5'-imidazolidine]-2',4'-dione2,3-Dihydro-6-fluoro-2'H,5'H-spiro[chromene-4,4'-imidazolidine]-2',5'-dione11-fluorospiro[1,3-diazolidine-5,4'-chromane]-2,4-dione6-Fluorospiro[chromane-4,4'-imidazolidine]-2',5'-dione(RS)-6-fluoro-spiro-[chroman-4,4'-imidazolidine]-2',5'-dione
Show more names
AKOS 910256-Fluorospiro[chroman-4,4'-imidazolidine]-2',5'-dione2,3-Dihydro-6-fluoro-2H',5H'-spiro[chromene-4,4'-imidazolidine]-2',5'-dioneSpiro[4H-1-benzopyran-4,4'-imidazolidine]-2',5'-dione, 6-fluoro-2,3-dihydro-
(+)-(4S)-6-Fluorospiro[chroman-4,4'-imidazolidine]-2',5'-dioneMLS003171137orb1217734SCHEMBL2108408SBB098563AKOS000280385AKOS023600463FS-1063
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Melting point
- 240 °C · >240°C
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 8.91 · 8.91±0.20(Predicted)
- form
- solid
- InChI
- 1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
- InChIKey
- LXANPKRCLVQAOG-UHFFFAOYSA-N
- SMILES
- Fc1ccc2OCCC3(NC(=O)NC3=O)c2c1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P304+P340-P405
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36-37-38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · WGK 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933210090
- risk_code
- 36-37-38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338-P304+P340-P405
Chemistry & industry
Suppliers7 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
2 records
Compound notes
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