4-(4-Bromophenyl)-2-thiazoleacetonitrile

Modify Date: 2024-01-08 21:26:20

4-(4-Bromophenyl)-2-thiazoleacetonitrile Structure
4-(4-Bromophenyl)-2-thiazoleacetonitrile structure
Common Name 4-(4-Bromophenyl)-2-thiazoleacetonitrile
CAS Number 94833-31-5 Molecular Weight 279.15600
Density 1.552g/cm3 Boiling Point 424ºC at 760 mmHg
Molecular Formula C11H7BrN2S Melting Point 125-129ºC(lit.)
MSDS Chinese USA Flash Point 210.2ºC
Symbol GHS05 GHS06
GHS05, GHS06
Signal Word Danger

 Names

Name 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.552g/cm3
Boiling Point 424ºC at 760 mmHg
Melting Point 125-129ºC(lit.)
Molecular Formula C11H7BrN2S
Molecular Weight 279.15600
Flash Point 210.2ºC
Exact Mass 277.95100
PSA 64.92000
LogP 3.63868
Index of Refraction 1.636

 MSDS

Material Safety Data Sheet

Section1. Identification of the substance
4-(4-Bromophenyl)-2-thiazoleacetonitrile
Product Name:
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301:Toxic if swallowed
H315:Causes skin irritation
H318:Causes serious eye damage
H335:May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280:Wear protective gloves/protective clothing/eye protection/face protection
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
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.
4-(4-Bromophenyl)-2-thiazoleacetonitrile
Ingredient name:
CAS number:94833-31-5

Section4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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, refrigerated.

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:C11H7BrN2S
Molecular weight:279.2

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, sulfur oxides.

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:UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (4-(4-Bromophenyl)-2-thiazoleacetonitrile)

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 GHS05 GHS06
GHS05, GHS06
Signal Word Danger
Hazard Statements H301-H315-H318-H335
Precautionary Statements P261-P280-P301 + P310-P305 + P351 + P338
Personal Protective Equipment Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes T: Toxic;
Risk Phrases 25-37/38-41
Safety Phrases 26-36/37/39-45
RIDADR UN 2811 6.1/PG 3
HS Code 2934100090

 Synthetic Route

~55%

4-(4-Bromophenyl)-2-thiazoleacetonitrile Structure

4-(4-Bromopheny...

CAS#:94833-31-5

Literature: NOVUSPHARMA S.P.A. Patent: WO2003/105842 A1, 2003 ; Location in patent: Page 66 - 67 ;

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2934100090
Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

 Synonyms

4-(4-Bromphenyl)-2-cyanomethylthiazol
[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetonitrile
[4-(4'-bromo)phenylthiazol-2-yl]acetonitrile
4-bromophenyl-2-thiazoleacetonitrile
4-(4-Bromophenyl)-2-thiazoleacetonitrile