5-Bromo-2-isopropoxypyridine

Modify Date: 2024-01-08 21:42:20

5-Bromo-2-isopropoxypyridine Structure
5-Bromo-2-isopropoxypyridine structure
Common Name 5-Bromo-2-isopropoxypyridine
CAS Number 870521-31-6 Molecular Weight 216.075
Density 1.4±0.1 g/cm3 Boiling Point 228.3±20.0 °C at 760 mmHg
Molecular Formula C8H10BrNO Melting Point 45.61ºC (Mean or Weighted MP)
MSDS USA Flash Point 91.9±21.8 °C

 Names

Name 5-Bromo-2-isopropoxypyridine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 228.3±20.0 °C at 760 mmHg
Melting Point 45.61ºC (Mean or Weighted MP)
Molecular Formula C8H10BrNO
Molecular Weight 216.075
Flash Point 91.9±21.8 °C
Exact Mass 214.994568
PSA 22.12000
LogP 3.49
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.526

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 5-Bromo-2-isopropoxypyridine
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302:Harmful if swallowed
H315:Causes skin irritation
H318:Causes serious eye damage
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P280:Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:5-Bromo-2-isopropoxypyridine
CAS number:870521-31-6

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
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
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
Not specified
Appearance:
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C8H10BrNO
Molecular weight:216.1

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 bromide.

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
Non-harzardous for air and ground transportation.

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

Hazard Codes Xn
Risk Phrases 22-37/38-41
Safety Phrases 26-39
HS Code 2933399090

 Synthetic Route

~76%

5-Bromo-2-isopropoxypyridine Structure

5-Bromo-2-isopr...

CAS#:870521-31-6

Literature: BANYU PHARMACEUTICAL CO., LTD. Patent: EP1892241 A1, 2008 ; Location in patent: Page/Page column 124 ; EP 1892241 A1

~92%

5-Bromo-2-isopropoxypyridine Structure

5-Bromo-2-isopr...

CAS#:870521-31-6

Literature: Gu, Yu Gui; Weitzberg, Moshe; Xu, Xiangdong; Clark, Richard F.; Zhang, Tianyuan; Li, Qun; Hansen, Todd M.; Sham, Hing; Beutel, Bruce A.; Camp, Heidi S.; Wang, Xiaojun Patent: US2007/225332 A1, 2007 ; Location in patent: Page/Page column 52-53 ;

~76%

5-Bromo-2-isopropoxypyridine Structure

5-Bromo-2-isopr...

CAS#:870521-31-6

Literature: H. Lundbeck A/S; Eskildsen, Jørgen; Sams, Anette Graven; Püschl, Ask Patent: US2013/12530 A1, 2013 ; Location in patent: Paragraph 0170-0171 ; US 20130012530 A1

~58%

5-Bromo-2-isopropoxypyridine Structure

5-Bromo-2-isopr...

CAS#:870521-31-6

Literature: WO2009/105500 A1, ; Page/Page column 218-219 ; WO 2009/105500 A1

~92%

5-Bromo-2-isopropoxypyridine Structure

5-Bromo-2-isopr...

CAS#:870521-31-6

Literature: Gu, Yu Gui; Weitzberg, Moshe; Clark, Richard F.; Xu, Xiangdong; Li, Qun; Zhang, Tianyuan; Hansen, T. Matthew; Liu, Gang; Xin, Zhili; Wang, Xiaojun; Wang, Rongqi; McNally, Teresa; Camp, Heidi; Beutel, Bruce A.; Sham, Hing L. Journal of Medicinal Chemistry, 2006 , vol. 49, # 13 p. 3770 - 3773

~%

5-Bromo-2-isopropoxypyridine Structure

5-Bromo-2-isopr...

CAS#:870521-31-6

Literature: WO2005/116000 A1, ; Page/Page column 52 ; WO 2005/116000 A1

~%

5-Bromo-2-isopropoxypyridine Structure

5-Bromo-2-isopr...

CAS#:870521-31-6

Literature: Yakugaku Zasshi, , vol. 72, p. 381 Chem.Abstr., , p. 6403

~%

5-Bromo-2-isopropoxypyridine Structure

5-Bromo-2-isopr...

CAS#:870521-31-6

Literature: Yakugaku Zasshi, , vol. 72, p. 381 Chem.Abstr., , p. 6403

 Customs

HS Code 2933399090
Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

5-bromo-2-propan-2-yloxypyridine
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