Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-

Modify Date: 2024-01-09 13:56:29

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- Structure
Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- structure
Common Name Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-
CAS Number 36263-51-1 Molecular Weight 215.29100
Density 1.0778 Boiling Point 176-179ºC (2 torr)
Molecular Formula C14H17NO Melting Point 40-45ºC
MSDS N/A Flash Point 152.6ºC

 Names

Name 1-(4-methoxyphenyl)-1-cyclohexanecarbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0778
Boiling Point 176-179ºC (2 torr)
Melting Point 40-45ºC
Molecular Formula C14H17NO
Molecular Weight 215.29100
Flash Point 152.6ºC
Exact Mass 215.13100
PSA 33.02000
LogP 3.42068
Index of Refraction 1.538

 MSDS

Name: 1-(4-Methoxyphenyl)-1-Cyclohexane-Carbonitrile 95% Material Safety Data Sheet
Synonym:
CAS: 36263-51-1
Section 1 - Chemical Product MSDS Name:1-(4-Methoxyphenyl)-1-Cyclohexane-Carbonitrile 95% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
36263-51-1 1-(4-Methoxyphenyl)-1-Cyclohexanecarbo 95 252-938-7
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 36263-51-1: 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:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 44.00 - 46.00 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: C14H17NO
Molecular Weight: 215.29

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 36263-51-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Methoxyphenyl)-1-Cyclohexanecarbonitrile - 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: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 36263-51-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 36263-51-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 36263-51-1 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 Xn:Harmful;
Risk Phrases R20/21/22
Safety Phrases S24/25
RIDADR UN 3276
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~61%

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- Structure

Cyclohexanecarb...

CAS#:36263-51-1

Literature: TOPOTARGET UK LIMITED Patent: WO2004/65354 A1, 2004 ; Location in patent: Page 103; 114; 71; 75 ;

~90%

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- Structure

Cyclohexanecarb...

CAS#:36263-51-1

Literature: Duez, Stephanie; Bernhardt, Sebastian; Heppekausen, Johannes; Fleming, Fraser F.; Knochel, Paul Organic Letters, 2011 , vol. 13, # 7 p. 1690 - 1693

~78%

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- Structure

Cyclohexanecarb...

CAS#:36263-51-1

Literature: Wu, Lingyun; Hartwig, John F. Journal of the American Chemical Society, 2005 , vol. 127, # 45 p. 15824 - 15832

~93%

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- Structure

Cyclohexanecarb...

CAS#:36263-51-1

Literature: Chen, Gang; Wang, Zheng; Wu, Jiang; Ding, Kuiling Organic Letters, 2008 , vol. 10, # 20 p. 4573 - 4576

~92%

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- Structure

Cyclohexanecarb...

CAS#:36263-51-1

Literature: Yanagisawa, Arata; Nezu, Tetsuya; Mohri, Shin-Ichiro Organic Letters, 2009 , vol. 11, # 22 p. 5286 - 5289

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

EINECS 252-938-7
1-(4-Methoxyphenyl)-1-cyclohexanecarbonitrile
MFCD00021282
1-(4-methoxyphenyl)cyclohexane-1-carbonitrile
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