1-(tert-Butoxycarbonyl)-5-chloroindole

Modify Date: 2024-01-09 22:12:57

1-(tert-Butoxycarbonyl)-5-chloroindole Structure
1-(tert-Butoxycarbonyl)-5-chloroindole structure
Common Name 1-(tert-Butoxycarbonyl)-5-chloroindole
CAS Number 129822-48-6 Molecular Weight 251.709
Density 1.2±0.1 g/cm3 Boiling Point 349.9±34.0 °C at 760 mmHg
Molecular Formula C13H14ClNO2 Melting Point 45-50ºC(lit.)
MSDS Chinese USA Flash Point 165.4±25.7 °C
Symbol GHS06
GHS06
Signal Word Danger

 Names

Name tert-Butyl 5-chloro-1H-indole-1-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 349.9±34.0 °C at 760 mmHg
Melting Point 45-50ºC(lit.)
Molecular Formula C13H14ClNO2
Molecular Weight 251.709
Flash Point 165.4±25.7 °C
Exact Mass 251.071304
PSA 31.23000
LogP 4.46
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.557

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 1-BOC-5-Chloroindole
Synonyms:tert-Butyl 5-chloro-1H-indole-1-carboxylate

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301:Toxic if swallowed
H317:May cause an allergic skin reaction
H413:May cause long lasting harmful effects to aquatic life
P280:Wear protective gloves/protective clothing/eye protection/face protection
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician

Section3. Composition/information on ingredients.
Ingredient name:1-BOC-5-Chloroindole
CAS number:129822-48-6

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
This product should be handled only by, or under the close supervision of, those properly qualified
Handling:
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C13H14ClNO2
Molecular weight: 251.7

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
UN Number:UN2811Class: 6.1Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (1-BOC-5-Chloroindole)

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Symbol GHS06
GHS06
Signal Word Danger
Hazard Statements H301-H317-H413
Precautionary Statements P280-P301 + P310
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T
Risk Phrases R25
Safety Phrases S36/37
RIDADR UN 2811 6.1/PG 3
HS Code 2933990090

 Synthetic Route

~93%

1-(tert-Butoxycarbonyl)-5-chloroindole Structure

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CAS#:129822-48-6

Literature: WO2013/34048 A1, ; Page/Page column 89; 90 ;

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1-(tert-Butoxycarbonyl)-5-chloroindole Structure

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CAS#:129822-48-6

Literature: Synthesis, , # 10 p. 871 - 878

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1-(tert-Butoxycarbonyl)-5-chloroindole Structure

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CAS#:129822-48-6

Literature: Synthesis, , # 10 p. 871 - 878

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1-(tert-Butoxycarbonyl)-5-chloroindole Structure

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CAS#:129822-48-6

Literature: Synthesis, , # 10 p. 871 - 878

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1-(tert-Butoxycarbonyl)-5-chloroindole Structure

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CAS#:129822-48-6

Literature: Synthesis, , # 10 p. 871 - 878

 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-BOC-5-Chloroindole
2-Methyl-2-propanyl 5-chloro-1H-indole-1-carboxylate
tert-butyl 5-chloroindole-1-carboxylate
MFCD05865201
1H-Indole-1-carboxylic acid, 5-chloro-, 1,1-dimethylethyl ester
1-(tert-Butoxycarbonyl)-5-chloroindole
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