Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate

Modify Date: 2024-01-10 13:39:06

Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate Structure
Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate structure
Common Name Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
CAS Number 77779-49-8 Molecular Weight 253.65700
Density 1.354g/cm3 Boiling Point 332.1ºC at 760 mmHg
Molecular Formula C12H9ClFNO2 Melting Point 62-63ºC
MSDS N/A Flash Point 154.6ºC

 Names

Name Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.354g/cm3
Boiling Point 332.1ºC at 760 mmHg
Melting Point 62-63ºC
Molecular Formula C12H9ClFNO2
Molecular Weight 253.65700
Flash Point 154.6ºC
Exact Mass 253.03100
PSA 39.19000
LogP 3.20400
Index of Refraction 1.593

 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: Ethyl 4-Chloro-6-Fluoroquinoline-3-Carboxylate
: VBP00044
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.


SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Eye irritation (Category 2), H319
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi IrritantR36
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordWarning
Hazard statement(s)
Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazardnone
Statements
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
Substances
Molecular weight: 253,66 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
Ethyl 4-Chloro-6-Fluoroquinoline-3-Carboxylate
Eye Irrit. 2; H319<= 100 %
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
Ethyl 4-Chloro-6-Fluoroquinoline-3-Carboxylate
Xi, R36<= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
No data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting if necessary.
Further information
No data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: solid
b) OdourNo data available
c) Odour ThresholdNo data available
d) pHNo data available
e) Melting point/freezingNo data available
point
f) Initial boiling point and No data available
boiling range
g) Flash pointNo data available
h) Evaporation rateNo data available
i) Flammability (solid, gas) No data available
j) Upper/lowerNo data available
flammability or
explosive limits
k) Vapour pressureNo data available
l) Vapour densityNo data available
m) Relative densityNo data available
n) Water solubilityNo data available
o) Partition coefficient: n- No data available
octanol/water
p) Auto-ignitionNo data available
temperature
q) DecompositionNo data available
temperature
r) ViscosityNo data available
s) Explosive propertiesNo data available
t) Oxidizing propertiesNo data available
Other safety information
No data available

SECTION 10: Stability and reactivity
Reactivity
No data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
No data available
Conditions to avoid
No data available
Incompatible materials
No data available
Hazardous decomposition products
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
No data available
Skin corrosion/irritation
No data available
Serious eye damage/eye irritation
No data available
Respiratory or skin sensitisation
No data available
Germ cell mutagenicity
No data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
No data available
Specific target organ toxicity - single exposure
No data available
Specific target organ toxicity - repeated exposure
No data available
Aspiration hazard
No data available
Additional Information
RTECS: Not available

SECTION 12: Ecological information
Toxicity
No data available
Persistence and degradability
No data available
Bioaccumulative potential
No data available
Mobility in soil
No data available
Results of PBT and vPvB assessment
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
Other adverse effects
No data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: -IMDG: -IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Not dangerous goods
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: -
Packaging group
ADR/RID: -IMDG: -IATA: -
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
No data available

SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

HS Code 2933499090

 Synthetic Route

~97%

Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate Structure

Ethyl 4-chloro-...

CAS#:77779-49-8

Literature: BIOLIPOX AB Patent: WO2007/51982 A1, 2007 ; Location in patent: Page/Page column 43-44 ;

~91%

Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate Structure

Ethyl 4-chloro-...

CAS#:77779-49-8

Literature: JANSSEN PHARMACEUTICA N.V. Patent: WO2004/69792 A2, 2004 ; Location in patent: Page 168 ;

~%

Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate Structure

Ethyl 4-chloro-...

CAS#:77779-49-8

Literature: Journal of Medicinal Chemistry, , vol. 49, # 21 p. 6351 - 6363

~%

Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate Structure

Ethyl 4-chloro-...

CAS#:77779-49-8

Literature: Journal of Medicinal Chemistry, , vol. 49, # 21 p. 6351 - 6363

~%

Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate Structure

Ethyl 4-chloro-...

CAS#:77779-49-8

Literature: Journal of Medicinal Chemistry, , vol. 49, # 21 p. 6351 - 6363

~%

Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate Structure

Ethyl 4-chloro-...

CAS#:77779-49-8

Literature: Journal of Medicinal Chemistry, , vol. 56, # 11 p. 4811 - 4815

 Customs

HS Code 2933499090
Summary 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
MFCD00173350
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