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| CAS No.: | 86393-33-1 |
|---|---|
| Name: | 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C13H9ClFNO3 |
| Molecular Weight: | 281.671 |
| Synonyms: | 1-Cyclopropyl-1,4-dihydro-4-oxo-6-fluoro-7-chloro-3-quinolinecarboxylicacid;1-Cyclopropyl-6-fluoro-7-chloro-1,4-dihydro-4-oxo-3-quinolinecarboxylicacid;1-Cyclopropyl-7-chloro-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylicacid;7-Chloro-1-cyclopropyl-6-fluoro-3-carboxy-1,4-dihydro-4-oxoquinoline;7-Chloro-1-cyclopropyl-6-fluoroquinolin-4-one-3-carboxylic acid;Fluoroquinolonic acid; |
| EINECS: | 405-050-0 |
| Density: | 1.652±0.06 g/cm3(Predicted) |
| Melting Point: | 242-245 °C(lit.) |
| Boiling Point: | 467.3 °C at 760 mmHg |
| Flash Point: | 236.4 °C |
| Appearance: | off-white crystalline powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38-52/53 |
| Safety: | 26-36-61-22 |
| PSA: | 59.30000 |
| LogP: | 2.82710 |
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Chemistry
Molecular structure of 7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS NO.86393-33-1) is:
Product Name: 7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
CAS Registry Number: 86393-33-1
IUPAC Name: 7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Molecular Weight: 281.666863 [g/mol]
Molecular Formula: C13H9ClFNO3
XLogP3: 2.4
H-Bond Donor: 1
H-Bond Acceptor: 5
Melting Point: 242-245 °C(lit.)
Surface Tension: 76.1 dyne/cm
Density: 1.652 g/cm3
Flash Point: 236.4 °C
Enthalpy of Vaporization: 76.83 kJ/mol
Boiling Point: 467.3 °C at 760 mmHg
Vapour Pressure: 1.56E-09 mmHg at 25°C
Product Categories: Ciprofloxacin ;Intermediates & Fine Chemicals ;Pharmaceuticals
Uses
7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS NO.86393-33-1) can be used as an intermediate in the synthesis of Ciprofloxacin, a fluorinated quinolone antibacterial.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC50 | inhalation | > 677mg/m3/4H (677mg/m3) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 15(Suppl, | |
| rat | LD50 | oral | 583mg/kg (583mg/kg) | SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 15(Suppl, |
| rat | LD50 | skin | > 2gm/kg (2000mg/kg) | Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 15(Suppl, |
Safety Profile
Safty information about 7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS NO.86393-33-1) is:
Hazard Codes: 
Xn,Xi
Risk Statements: 22-36/37/38-52/53
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 26-36-61-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S22:Do not breathe dust.
WGK Germany: 2
RTECS: VB1993795
Hazard Note: Irritant
Specification
7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid , its cas register number is 86393-33-1. It also can be called 3-Quinolinecarboxylic acid, 1,4-dihydro-7-chloro-1-cyclopropyl-6-fluoro-4-oxo- . It is a off-white crystalline powder.
First Aid Measures:
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion: Get medical aid. Wash mouth out with water.
Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Handling and Storage:
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Store in a tightly closed container.