2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile

Modify Date: 2024-01-11 18:17:28

2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile Structure
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile structure
Common Name 2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
CAS Number 17969-48-1 Molecular Weight 234.70500
Density 1.336g/cm3 Boiling Point 404.2ºC at 760mmHg
Molecular Formula C11H7ClN2S Melting Point 124-126ºC
MSDS N/A Flash Point 198.3ºC

 Names

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

 Chemical & Physical Properties

Density 1.336g/cm3
Boiling Point 404.2ºC at 760mmHg
Melting Point 124-126ºC
Molecular Formula C11H7ClN2S
Molecular Weight 234.70500
Flash Point 198.3ºC
Exact Mass 234.00200
PSA 64.92000
LogP 3.52958
Vapour Pressure 9.58E-07mmHg at 25°C
Index of Refraction 1.62

 MSDS

Name: 2-[4-(4-Chlorophenyl)-1 3-thiazol-2-yl]acetonitrile 97% Material Safety Data Sheet
Synonym:
CAS: 17969-48-1
Section 1 - Chemical Product MSDS Name:2-[4-(4-Chlorophenyl)-1 3-thiazol-2-yl]acetonitrile 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
17969-48-1 2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: 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.
Ingestion:
Get medical aid. 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:

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 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.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17969-48-1: 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 132 - 134 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: C11H7ClN2S
Molecular Weight: 235

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 17969-48-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]acetonitrile - 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: NITRILES, SOLID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
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.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 17969-48-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17969-48-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17969-48-1 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 Xn:Harmful;
Risk Phrases 20/21/22-36/37/38
Safety Phrases 26-36/37/39
HS Code 2934100090

 Synthetic Route

~84%

2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile Structure

2-[4-(4-fluorop...

CAS#:17969-48-1

Literature: Elnagdi, M. H.; Abdallah, S. O.; Ghoneim, K. M.; Ebied, E. M.; Kassab, K. N. Journal of Chemical Research, Miniprint, 1997 , # 2 p. 375 - 384

 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'-chloro)phenylthiazol-2-yl]acetonitrile
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethanenitrile
2-thiazoleacetonitrile,4-(4-chlorophenyl)
4-(p-chlorophenyl)-2-cyanomethyl-1,3-thiazole
MFCD00107603
4-chlorophenyl-2-thiazoleacetonitrile
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetonitrile