2,6-dichloro-5-fluoronicotinoyl chloride

Modify Date: 2024-01-03 17:33:12

2,6-dichloro-5-fluoronicotinoyl chloride Structure
2,6-dichloro-5-fluoronicotinoyl chloride structure
Common Name 2,6-dichloro-5-fluoronicotinoyl chloride
CAS Number 96568-02-4 Molecular Weight 228.43600
Density 1.640 g/mL at 25 °C(lit.) Boiling Point 238-239 °C(lit.)
Molecular Formula C6HCl3FNO Melting Point N/A
MSDS N/A Flash Point >230 °F

 Names

Name 2,6-dichloro-5-fluoropyridine-3-carbonyl chloride
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.640 g/mL at 25 °C(lit.)
Boiling Point 238-239 °C(lit.)
Molecular Formula C6HCl3FNO
Molecular Weight 228.43600
Flash Point >230 °F
Exact Mass 226.91100
PSA 29.96000
LogP 2.90650
Index of Refraction n20/D >1.5720(lit.)
Storage condition 0-6°C

 MSDS

Name: 2 6-Dichloro-5-Fluoronicotinoyl Chloride 90% Material Safety Data Sheet
Synonym: None Known
CAS: 96568-02-4
Section 1 - Chemical Product MSDS Name:2 6-Dichloro-5-Fluoronicotinoyl Chloride 90% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
96568-02-4 2,6-Dichloro-5-Fluoronicotinoyl Chlori 90% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Do NOT get water inside containers.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.) Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 96568-02-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6HCl3FNO
Molecular Weight: 228.3705

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, moisture, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents, moisture.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 96568-02-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,6-Dichloro-5-Fluoronicotinoyl Chloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 96568-02-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 96568-02-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 96568-02-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes C: Corrosive;
Risk Phrases 34
Safety Phrases S26-S36/37/39-S45
RIDADR UN 3265 8/PG 2
WGK Germany 3
HS Code 2933399090

 Synthetic Route

~99%

2,6-dichloro-5-fluoronicotinoyl chloride Structure

2,6-dichloro-5-...

CAS#:96568-02-4

Literature: ASTRAZENECA AB Patent: WO2008/85119 A1, 2008 ; Location in patent: Page/Page column 209 ; WO 2008/085119 A1

~%

2,6-dichloro-5-fluoronicotinoyl chloride Structure

2,6-dichloro-5-...

CAS#:96568-02-4

Literature: Journal of Medicinal Chemistry, , vol. 29, # 11 p. 2364 - 2369

~%

2,6-dichloro-5-fluoronicotinoyl chloride Structure

2,6-dichloro-5-...

CAS#:96568-02-4

Literature: Chemical and Pharmaceutical Bulletin, , vol. 38, # 12 p. 3211 - 3217

~%

2,6-dichloro-5-fluoronicotinoyl chloride Structure

2,6-dichloro-5-...

CAS#:96568-02-4

Literature: Chemical and Pharmaceutical Bulletin, , vol. 38, # 12 p. 3211 - 3217

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2,6-dichloro-5-fluoronicotinoyl chloride
MFCD01863240
2,6-dichloro-5-fluoro-pyridine-3-carboxylic acid chloride
2,6-dichloro-5-fluoronicotinyl chloride
2,6-Dichloro-5-fluoro-3-pyridinecarbonyl chloride
2,6-dichloro-5-fluoronicotinic acid chloride
2,6-dichloro-5-fluoropyridinecarbonyl chloride
nicotinyl chloride
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