3-Anilino-2-cyclohexen-1-one

Modify Date: 2024-01-09 19:07:15

3-Anilino-2-cyclohexen-1-one Structure
3-Anilino-2-cyclohexen-1-one structure
Common Name 3-Anilino-2-cyclohexen-1-one
CAS Number 24706-50-1 Molecular Weight 187.23800
Density 1.176g/cm3 Boiling Point 324.9ºC at 760mmHg
Molecular Formula C12H13NO Melting Point 178-182 °C
MSDS N/A Flash Point 135.6ºC

 Names

Name 3-anilinocyclohex-2-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.176g/cm3
Boiling Point 324.9ºC at 760mmHg
Melting Point 178-182 °C
Molecular Formula C12H13NO
Molecular Weight 187.23800
Flash Point 135.6ºC
Exact Mass 187.10000
PSA 29.10000
LogP 2.80840
Vapour Pressure 0.000238mmHg at 25°C
Index of Refraction 1.629

 MSDS

Name: 3-(Phenylamino)cyclohex-2-ene-1-one 98% Material Safety Data Sheet
Synonym:
CAS: 24706-50-1
Section 1 - Chemical Product MSDS Name:3-(Phenylamino)cyclohex-2-ene-1-one 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
24706-50-1 3-(Phenylamino)cyclohex-2-ene-1-one 98% unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
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 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24706-50-1: 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: Crystalline powder
Color: yellow-green - fine
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 178 - 182 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C12H13NO
Molecular Weight: 187.24

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24706-50-1: GW7600000 LD50/LC50:
Not available.
Carcinogenicity:
3-(Phenylamino)cyclohex-2-ene-1-one - 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
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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 24706-50-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24706-50-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24706-50-1 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 :
GW7600000
CHEMICAL NAME :
2-Cyclohexen-1-one, 3-(phenylamino)-
CAS REGISTRY NUMBER :
24706-50-1
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H13-N-O
MOLECULAR WEIGHT :
187.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JKXXAF Japanese Kokai Tokyo Koho Patents. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #92-282314

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S24/25
RTECS GW7600000
HS Code 2922399090

 Synthetic Route

~96%

3-Anilino-2-cyclohexen-1-one Structure

3-Anilino-2-cyc...

CAS#:24706-50-1

Literature: Epifano, Francesco; Genovese, Salvatore; Curini, Massimo Tetrahedron Letters, 2007 , vol. 48, # 15 p. 2717 - 2720

~93%

3-Anilino-2-cyclohexen-1-one Structure

3-Anilino-2-cyc...

CAS#:24706-50-1

Literature: Merck and Co., Inc. Patent: EP214009 A3, 1989 ;

~89%

3-Anilino-2-cyclohexen-1-one Structure

3-Anilino-2-cyc...

CAS#:24706-50-1

Literature: Zhuo, Jin-Cong Magnetic Resonance in Chemistry, 1997 , vol. 35, # 5 p. 311 - 322

~78%

3-Anilino-2-cyclohexen-1-one Structure

3-Anilino-2-cyc...

CAS#:24706-50-1

Literature: Bergman, Jan; Stensland, Birgitta Journal of Heterocyclic Chemistry, 2014 , vol. 51, # 1 p. 1 - 10

 Customs

HS Code 2922399090
Summary 2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

MFCD00082654
3-Anilino-2-cyclohexen-1-one
3-phenylamino-cyclohex-2-enone
N-phenyl-3-aminocyclohex-2-enone
3-(Phenylamino)cyclohex-2-enone
3-anilinocyclohex-2-ene-1-one
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