4-(Morpholinomethyl)benzonitrile

Modify Date: 2024-01-02 18:13:01

4-(Morpholinomethyl)benzonitrile Structure
4-(Morpholinomethyl)benzonitrile structure
Common Name 4-(Morpholinomethyl)benzonitrile
CAS Number 37812-51-4 Molecular Weight 202.252
Density 1.1±0.1 g/cm3 Boiling Point 332.4±32.0 °C at 760 mmHg
Molecular Formula C12H14N2O Melting Point 84ºC to 89ºC
MSDS N/A Flash Point 154.8±25.1 °C

 Names

Name 4-(morpholinomethyl)benzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 332.4±32.0 °C at 760 mmHg
Melting Point 84ºC to 89ºC
Molecular Formula C12H14N2O
Molecular Weight 202.252
Flash Point 154.8±25.1 °C
Exact Mass 202.110611
PSA 36.26000
LogP 0.61
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.573
Storage condition 2-8°C

 MSDS

Name: 4-(Morpholinomethyl)benzonitrile Material Safety Data Sheet
Synonym:
CAS: 37812-51-4
Section 1 - Chemical Product MSDS Name:4-(Morpholinomethyl)benzonitrile Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
37812-51-4 4-(Morpholinomethyl)benzonitrile 97+% unlisted
Hazard Symbols: C
Risk Phrases: 20/21/22 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Harmful if absorbed through the skin. Causes skin burns.
Ingestion:
Harmful if swallowed. Causes gastrointestinal tract burns.
Inhalation:
Harmful if inhaled. Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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.
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.

Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 37812-51-4: 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: Pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 85.5 - 86 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: C12H14N2O
Molecular Weight: 202.26

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, strong reducing agents, acid chlorides.
Hazardous Decomposition Products:
Hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Not available.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 37812-51-4: XV1050000 LD50/LC50:
Not available.
Carcinogenicity:
4-(Morpholinomethyl)benzonitrile - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: CORROSIVE SOLID, TOXIC, N.O.S.*
Hazard Class: 8 (6.1)
UN Number: 2923
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2923
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, TOXIC, N.O.S.
Hazard Class: 8 (6.1)
UN Number: 2923
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 34 Causes burns.
Safety Phrases:
S 22 Do not breathe dust.
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 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 37812-51-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 37812-51-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 37812-51-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XV1050000
CHEMICAL NAME :
p-Tolunitrile, alpha-(4-morpholinyl)-
CAS REGISTRY NUMBER :
37812-51-4
LAST UPDATED :
199707
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H14-N2-O
MOLECULAR WEIGHT :
202.28
WISWESSER LINE NOTATION :
T6N DOTJ A1R DCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

 Safety Information

Hazard Codes C
RIDADR 2923.0
Hazard Class 8,6.1
HS Code 2934999090

 Synthetic Route

~96%

4-(Morpholinomethyl)benzonitrile Structure

4-(Morpholinome...

CAS#:37812-51-4

Literature: LIVERPOOL SCHOOL OF TROPICAL MEDICINE; O'NEILL, Paul; BIAGINI, Giancarlo; WARD, Stephen A.; BERRY, Neil Graham; NIXON, Gemma; AMEWU, Richard K.; PIDATHALA, Chandrakala; HONG, Weiqian David; GIBBONS, Peter; LEUNG, Suet Ching; PACOREL, Benedicte; SHARMA, Raman; LAWRENSON, Alexandre S.; SHONE, Alison E.; SRIVASTAVA, Abhishek; WARMAN, Ashley J. Patent: WO2012/69856 A1, 2012 ; Location in patent: Page/Page column 67 ;

~95%

4-(Morpholinomethyl)benzonitrile Structure

4-(Morpholinome...

CAS#:37812-51-4

Literature: Chen, Wen-Xin; Zhang, Cai-Yun; Lu, Jian-Mei Journal of Chemical Research, 2013 , vol. 37, # 10 p. 611 - 614

~79%

4-(Morpholinomethyl)benzonitrile Structure

4-(Morpholinome...

CAS#:37812-51-4

Literature: ELI LILLY AND COMPANY Patent: WO2007/28083 A2, 2007 ; Location in patent: Page/Page column 91 ; WO 2007/028083 A2

~%

4-(Morpholinomethyl)benzonitrile Structure

4-(Morpholinome...

CAS#:37812-51-4

Literature: Grochowski,E.; Boleslawska,T. Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1972 , vol. 20, p. 405 - 409

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

4-(morpholin-4-ylmethyl)benzonitrile
4-(morpholinomethyl)benzonitrile
Benzonitrile, 4-(4-morpholinylmethyl)-
4-(4-Morpholinylmethyl)benzonitrile