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436-72-6

436-72-6 structure
436-72-6 structure

Name 5-Fluoroquinazolin-4(1H)-one
Synonyms 5-fluoro-1H-quinazolin-4-one
4(3H)-Quinazolinone, 5-fluoro-
5-Fluoro-4-quinazolinol
MFCD00173674
5-fluoroquinazolin-4-ol
Density 1.5±0.1 g/cm3
Boiling Point 328.2±22.0 °C at 760 mmHg
Melting Point 238 °C
Molecular Formula C8H5FN2O
Molecular Weight 164.137
Flash Point 152.3±22.3 °C
Exact Mass 164.038589
PSA 46.01000
LogP 0.35
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.672
Name: 5-Fluoroquinazolin-4-ol 97% Material Safety Data Sheet
Synonym: 5-Fluoro-4-hydroxyquinazolin
CAS: 436-72-6
Section 1 - Chemical Product MSDS Name:5-Fluoroquinazolin-4-ol 97% Material Safety Data Sheet
Synonym:5-Fluoro-4-hydroxyquinazolin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
436-72-6 5-Fluoroquinazolin-4-ol 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

Section 4 - 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.
Notes to Physician:

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - 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.

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# 436-72-6: Personal Protective Equipment Eyes: Not available.
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: Solid
Color: off-white - yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 240 - 242 deg C
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: C8H5FN2O
Molecular Weight: 164

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 436-72-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Fluoroquinazolin-4-ol - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 22 Harmful if swallowed.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 436-72-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 436-72-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 436-72-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
Hazard Codes Xi: Irritant;
Risk Phrases 36/37/38
Safety Phrases S26-S36/37/39
HS Code 2933990090

~86%

436-72-6 structure

436-72-6

Literature: Kulkarni, Shridhar S.; Singh, Satyakam; Shah, Janki R.; Low, Woon-Kai; Talele, Tanaji T. European Journal of Medicinal Chemistry, 2012 , vol. 50, p. 264 - 273

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436-72-6 structure

436-72-6

Literature: NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2008/12326 A1, 2008 ; Location in patent: Page/Page column 86-87 ; WO 2008/012326 A1
HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%