Basic information
- Standard SMILES
Cc1ccc2cc(F)ccc2n1- InChIKey
GPIARMSVZOEZCV-UHFFFAOYSA-N- Molecular formula
- C10H8FN
- Average molar mass
- 161.18 g/mol
- Monoisotopic mass
- 161.06407748
Names & identifiers
- Preferred name
- 6-Fluoro-2-methylquinoline
- IUPAC
- 6-fluoro-2-methylquinoline
- English name
- 6-Fluoroquinaldine
- Molecular formula
- C10H8FN
- Molecular weight
- 161.18
Names & synonyms
6-Fluoro-2-methylquinoline1128-61-6Quinoline, 6-fluoro-2-methyl-2-methyl-6-fluoroquinoline5SLA2SME8UEINECS 214-439-2GPIARMSVZOEZCV-UHFFFAOYSA-DTXSID50150180RefChem:104628DTXCID2072671214-439-2GPIARMSVZOEZCV-UHFFFAOYSA-N
Show more names
AKOS 10026-Fluoroquildine, 98%6-flouro-2-methyl quinoline6-Fluoro-2-methylquinoline>6-Fluoro-2-methylquinoline97%6-Fluoro-2-methylquinoline 97%
InChI=1/C10H8FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H36-FluoroquinaldineMFCD00041233Maybridge1_000571SCHEMBL384813MLS0032695016-Fluoro-2-methylquinoline, 97%AKOS000276642
Database identifiers
- CAS
1128-61-6- PubChem CID
- 70784
- DTXSID
DTXSID50150180- UNII
- 5SLA2SME8U
- EC Number
- 214-439-2
- Nikkaji
- J203.371B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 49 · 49-53 °C (lit.)
- Boiling point
- 99 °C · 99 °C / 3mmHg
- Density
- 1.1465 · 1.1465 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Soluble in Chloroform.
- pka
- 5.16 · 5.16±0.43(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1281677 · 1281677
- InChI
- 1S/C10H8FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h2-6H,1H3
- InChIKey
- GPIARMSVZOEZCV-UHFFFAOYSA-N
- SMILES
- Cc1ccc2cc(F)ccc2n1
- CAS DataBase Reference
- 1128 · 1128-61-6(CAS DataBase Reference)
- FDA UNII
- 5 SLA2SME8U · 5SLA2SME8U
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38-41-36/37/38
- Safety Statements
- 26 · 26-37/39-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29334990 · 29334990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Irrit. 2
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 47 reports by companies from 5 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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29334990
- risk_code
- 38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H318
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P362+P364
Chemistry & industry
Applications
UsesQuinoline derivative as a highly potent thrombin receptor antagonist
UsesMetal-free transfer hydrogenation of 6-fluoro-2-methylquinoline by employing several chiral Brnsted acid catalysts was carried out in combination with dihydropyridines as the hydride source in asymmetric metal-free synthesis of fluoroquinolones by organocatalytic hydrogenation. Hydrogenation product of 6-fluoro-2-methylquinoline is the key intermediate of the antibacterial agent.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
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Related reactions
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