2-(Bromoacetyl)-1,3-benzothiazole

Modify Date: 2024-01-14 18:41:42

2-(Bromoacetyl)-1,3-benzothiazole Structure
2-(Bromoacetyl)-1,3-benzothiazole structure
Common Name 2-(Bromoacetyl)-1,3-benzothiazole
CAS Number 54223-20-0 Molecular Weight 256.119
Density 1.7±0.1 g/cm3 Boiling Point 347.7±44.0 °C at 760 mmHg
Molecular Formula C9H6BrNOS Melting Point 86-87ºC
MSDS N/A Flash Point 164.1±28.4 °C

 Names

Name 1-(1,3-benzothiazol-2-yl)-2-bromoethanone
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.7±0.1 g/cm3
Boiling Point 347.7±44.0 °C at 760 mmHg
Melting Point 86-87ºC
Molecular Formula C9H6BrNOS
Molecular Weight 256.119
Flash Point 164.1±28.4 °C
Exact Mass 254.935333
PSA 58.20000
LogP 2.72
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.700
Storage condition 2-8°C

 MSDS

Name: 1-(1 3-Benzothiazol-2-yl)-2-bromo-1-ethanone 90+% Material Safety Data Sheet
Synonym:
CAS: 54223-20-0
Section 1 - Chemical Product MSDS Name:1-(1 3-Benzothiazol-2-yl)-2-bromo-1-ethanone 90+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
54223-20-0 1-(1,3-Benzothiazol-2-yl)-2-bromo-1-et 90+% unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 54223-20-0: 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: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 85 - 87 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: C9H6BrNOS
Molecular Weight: 256.12

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, oxides of sulfur, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 54223-20-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone - 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: CORROSIVE SOLID, N.O.S.*
Hazard Class: 8
UN Number: 1759
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 54223-20-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 54223-20-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 54223-20-0 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 C:Corrosive;
Risk Phrases R34
Safety Phrases S26-S36/37/39-S45
HS Code 2934200090

 Synthetic Route

~27%

2-(Bromoacetyl)-1,3-benzothiazole Structure

2-(Bromoacetyl)...

CAS#:54223-20-0

Literature: PFIZER PRODUCTS INC. Patent: WO2008/4117 A1, 2008 ; Location in patent: Page/Page column 143 ;

~77%

2-(Bromoacetyl)-1,3-benzothiazole Structure

2-(Bromoacetyl)...

CAS#:54223-20-0

Literature: Podea, Paula Veronica; Paizs, Csaba; Tosa, Monica Ioana; Irimie, Florin Dan Tetrahedron Asymmetry, 2008 , vol. 19, # 16 p. 1959 - 1964

~%

2-(Bromoacetyl)-1,3-benzothiazole Structure

2-(Bromoacetyl)...

CAS#:54223-20-0

Literature: WO2004/106345 A2, ; Page 50 ;

~%

2-(Bromoacetyl)-1,3-benzothiazole Structure

2-(Bromoacetyl)...

CAS#:54223-20-0

Literature: Indian Journal of Chemistry, , vol. 8, p. 882 - 884

~%

2-(Bromoacetyl)-1,3-benzothiazole Structure

2-(Bromoacetyl)...

CAS#:54223-20-0

Literature: Indian Journal of Chemistry, , vol. 8, p. 882 - 884

 Customs

HS Code 2934200090
Summary 2934200090. other compounds containing in the structure a benzothiazole ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2-bromoacetylbenzothiazole
T56 BN DSJ CV1E
1-(1,3-Benzothiazol-2-yl)-2-bromoethan-1-one
2-(Bromoacetyl)-1,3-benzothiazole
2-bromo-1-benzothiazol-2-ylethanone
1-(1,3-Benzothiazol-2-yl)-2-bromoethanone
Ethanone, 1-(2-benzothiazolyl)-2-bromo-
1-(1,3-Benzothiazol-2-yl)-2-bromo-1-ethanone
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