UNII:QRA30YT0AV

Modify Date: 2024-01-04 17:26:46

UNII:QRA30YT0AV Structure
UNII:QRA30YT0AV structure
Common Name UNII:QRA30YT0AV
CAS Number 109887-53-8 Molecular Weight 223.286
Density 1.1±0.1 g/cm3 Boiling Point 300.3±42.0 °C at 760 mmHg
Molecular Formula C13H18FNO Melting Point 156-159°C
MSDS N/A Flash Point 135.4±27.9 °C

 Names

Name 4-(4-Fluorophenyl)-3-HydroxyMethyl-1-Methyl-Piperidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 300.3±42.0 °C at 760 mmHg
Melting Point 156-159°C
Molecular Formula C13H18FNO
Molecular Weight 223.286
Flash Point 135.4±27.9 °C
Exact Mass 223.137238
PSA 23.47000
LogP 1.66
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.518
Storage condition Refrigerator

 MSDS

Name: (3S)-4-(4 -Fluorophenyl)-3-Hydroxymethyl-1-Methylpiperidine Material Safety Data Sheet
Synonym: None Known
CAS: 109887-53-8
Section 1 - Chemical Product MSDS Name:(3S)-4-(4 -Fluorophenyl)-3-Hydroxymethyl-1-Methylpiperidine Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
109887-53-8 (3S)-4-(4'-Fluorophenyl)-3-Hydroxymeth ca. 100 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. 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.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide.

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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. 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. Wash clothing before reuse.
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# 109887-53-8: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 100 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: C13H18FNO
Molecular Weight: 223.1305

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Acid chlorides, acid anhydrides, acids, oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 109887-53-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(3S)-4-(4'-Fluorophenyl)-3-Hydroxymethyl-1-Methylpiperidine - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 109887-53-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 109887-53-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 109887-53-8 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 Xi:Irritant
Risk Phrases R36/37/38
Safety Phrases S22-S26-S39-S61

 Synonyms

(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinemethanol
[(3S,4R)-4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol
((3R,4S)-rel-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl)methanol
UNII:QRA30YT0AV
(-)-trans-4-(4-Fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
(3S)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-
[(3S,4R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methanol
[4-(4-Fluorophenyl)-1-methyl-3-piperidinyl]methanol
[4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methanol
4-(4-Fluorophenyl)-3-hydroxymethyl-1-methyl-piperidine
EINECS 415-550-0
trans-(-)-4-FLUOROPHENYL)-1; -METHYL-3-PIPERIDINE METHANOL
MFCD03411902
[4-(4-Fluorphenyl)-1-methylpiperidin-3-yl]methanol
3-Piperidinemethanol, 4-(4-fluorophenyl)-1-methyl-, (3S,4R)-
rac-trans Paroxol
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