1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE

Modify Date: 2024-01-09 10:25:42

1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE Structure
1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE structure
Common Name 1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE
CAS Number 163229-48-9 Molecular Weight 275.30000
Density 1.16g/cm3 Boiling Point 387.3ºC at 760mmHg
Molecular Formula C15H17NO4 Melting Point 66ºC
MSDS N/A Flash Point 188ºC

 Names

Name 1-O-tert-butyl 2-O-methyl indole-1,2-dicarboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.16g/cm3
Boiling Point 387.3ºC at 760mmHg
Melting Point 66ºC
Molecular Formula C15H17NO4
Molecular Weight 275.30000
Flash Point 188ºC
Exact Mass 275.11600
PSA 57.53000
LogP 3.21110
Vapour Pressure 3.34E-06mmHg at 25°C
Index of Refraction 1.543

 MSDS

Name: 1-(Tert-butyl) 2-methyl 1H-indole-1 2-dicarboxylate Material Safety Data Sheet
Synonym: None Known
CAS: 163229-48-9
Section 1 - Chemical Product MSDS Name:1-(Tert-butyl) 2-methyl 1H-indole-1 2-dicarboxylate Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
163229-48-9 1-(Tert-butyl) 2-methyl 1H-indole-1,2- 97+ unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. Harmful if inhaled.
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.
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.
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 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. 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# 163229-48-9: 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: off-white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 66-67.5 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: C15H17NO4
Molecular Weight: 275.30

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Oxidizing agents, acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 163229-48-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(Tert-butyl) 2-methyl 1H-indole-1,2-dicarboxylate - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
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.
WGK (Water Danger/Protection)
CAS# 163229-48-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 163229-48-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 163229-48-9 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 T: Toxic;
HS Code 2933990090

 Synthetic Route

~98%

1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE Structure

1-(TERT-BUTYL) ...

CAS#:163229-48-9

Literature: Freed; Hart; Magomedov Journal of Organic Chemistry, 2001 , vol. 66, # 3 p. 839 - 852

~%

1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE Structure

1-(TERT-BUTYL) ...

CAS#:163229-48-9

Literature: Journal of the American Chemical Society, , vol. 122, # 31 p. 7614 - 7615

~%

1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE Structure

1-(TERT-BUTYL) ...

CAS#:163229-48-9

Literature: Bulletin of the Chemical Society of Japan, , vol. 77, # 5 p. 1021 - 1025

~%

1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE Structure

1-(TERT-BUTYL) ...

CAS#:163229-48-9

Literature: Bulletin of the Chemical Society of Japan, , vol. 77, # 5 p. 1021 - 1025

~%

1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE Structure

1-(TERT-BUTYL) ...

CAS#:163229-48-9

Literature: Bulletin of the Chemical Society of Japan, , vol. 77, # 5 p. 1021 - 1025

~%

1-(TERT-BUTYL) 2-METHYL 1H-INDOLE-1,2-DICARBOXYLATE Structure

1-(TERT-BUTYL) ...

CAS#:163229-48-9

Literature: Bulletin of the Chemical Society of Japan, , vol. 77, # 5 p. 1021 - 1025

 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-tert-butyl 2-methyl 1H-indole-1,2-dicarboxylate
methyl 1-t-butoxycarbonylindole-2-carboxylate
1-tert-butoxycarbonyl-2-methoxycarbonylindole
methyl N-(tert-butoxycarbonyl)indole-2-carboxylate
1-tert-butyl 2-methyl indole-1,2-dicarboxylate