1H-Azepine-1-acetonitrile,hexahydro-

Modify Date: 2024-01-08 19:47:13

1H-Azepine-1-acetonitrile,hexahydro- Structure
1H-Azepine-1-acetonitrile,hexahydro- structure
Common Name 1H-Azepine-1-acetonitrile,hexahydro-
CAS Number 54714-50-0 Molecular Weight 138.21000
Density 0.96 Boiling Point 110ºC (18 mmHg)
Molecular Formula C8H14N2 Melting Point N/A
MSDS N/A Flash Point 84.2ºC

 Names

Name 2-(azepan-1-yl)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.96
Boiling Point 110ºC (18 mmHg)
Molecular Formula C8H14N2
Molecular Weight 138.21000
Flash Point 84.2ºC
Exact Mass 138.11600
PSA 27.03000
LogP 1.32388
Index of Refraction 1.4725-1.4765

 MSDS

Name: Hexahydro-1h-azepine-1-acetonitrile tech. ca.90% Material Safety Data Sheet
Synonym: (N-Hexamethyleneimino)acetonitrile; 1H-Azepine-1-acetonitrile, hexahydro-; Acetonitrile, (hexahydro-1H-azepin-1-yl)
CAS: 54714-50-0
Section 1 - Chemical Product MSDS Name:Hexahydro-1h-azepine-1-acetonitrile tech. ca.90% Material Safety Data Sheet
Synonym:(N-Hexamethyleneimino)acetonitrile; 1H-Azepine-1-acetonitrile, hexahydro-; Acetonitrile, (hexahydro-1H-azepin-1-yl)

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
54714-50-0 Hexahydro-1H-azepine-1-acetonitrile, t ca. 90 259-302-8
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.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. 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: 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. 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 immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. 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:
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# 54714-50-0: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 110 deg C @ 18.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: .9623g/cm3
Molecular Formula: C8H14N2
Molecular Weight: 138.21

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# 54714-50-0: CM2500000 LD50/LC50:
Not available.
Carcinogenicity:
Hexahydro-1H-azepine-1-acetonitrile, tech. - 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: 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.
WGK (Water Danger/Protection)
CAS# 54714-50-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 54714-50-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54714-50-0 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 :
CM2500000
CHEMICAL NAME :
1H-Azepine-1-acetonitrile, hexahydro-
CAS REGISTRY NUMBER :
54714-50-0
BEILSTEIN REFERENCE NO. :
0110233
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H14-N2
MOLECULAR WEIGHT :
138.24
WISWESSER LINE NOTATION :
T7NTJ A1CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07820

 Safety Information

Hazard Codes Xn
Risk Phrases R20/21/22
Safety Phrases S24/25
RIDADR UN 3276
HS Code 2933990090

 Synthetic Route

~91%

1H-Azepine-1-acetonitrile,hexahydro- Structure

1H-Azepine-1-ac...

CAS#:54714-50-0

Literature: AUCKLAND UNISERVICES LIMITED Patent: WO2006/104406 A1, 2006 ; Location in patent: Page/Page column 168 ;

~%

1H-Azepine-1-acetonitrile,hexahydro- Structure

1H-Azepine-1-ac...

CAS#:54714-50-0

Literature: Journal of the American Chemical Society, , vol. 80, p. 3769,3770

~%

1H-Azepine-1-acetonitrile,hexahydro- Structure

1H-Azepine-1-ac...

CAS#:54714-50-0

Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 34, # 11 p. 2351 - 2359 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 11 p. 2537 - 2546

~10%

1H-Azepine-1-acetonitrile,hexahydro- Structure

1H-Azepine-1-ac...

CAS#:54714-50-0

Detail
Literature: Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 34, # 11 p. 2351 - 2359 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 11 p. 2537 - 2546

 Customs

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%

 Synonyms

1-azepanylacetonitrile
N-cyanomethylperhydroazepine
EINECS 259-302-8
azepan-1-ylacetonitrile
hexahydroazepin-1-yl-acetonitrile
hexahydro-1H-azepine-1-acetonitrile
Acetonitrile,(hexahydro-1H-azepin-1-yl)
Hexamethylenimino-acetonitril
Hexahydroazepin-1-yl-acetonitril
Hexahydro-azepinyl-(1)-acetonitril
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