3-(chloromethyl)-1,3-benzothiazole-2-thione

Modify Date: 2024-01-13 20:29:37

3-(chloromethyl)-1,3-benzothiazole-2-thione Structure
3-(chloromethyl)-1,3-benzothiazole-2-thione structure
Common Name 3-(chloromethyl)-1,3-benzothiazole-2-thione
CAS Number 41526-42-5 Molecular Weight 215.72300
Density 1.52g/cm3 Boiling Point 338.9ºC at 760 mmHg
Molecular Formula C8H6ClNS2 Melting Point 126-131ºC
MSDS N/A Flash Point 158.8ºC

 Names

Name 3-(chloromethyl)-1,3-benzothiazole-2-thione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.52g/cm3
Boiling Point 338.9ºC at 760 mmHg
Melting Point 126-131ºC
Molecular Formula C8H6ClNS2
Molecular Weight 215.72300
Flash Point 158.8ºC
Exact Mass 214.96300
PSA 65.26000
LogP 3.62860
Index of Refraction 1.754

 MSDS

Name: N-Chloromethylbenzothiazole-2-Thione, 98% Material Safety Data Sheet
Synonym: 3-Chloromethyl-3H-Benzothiazole-2-Thione
CAS: 41526-42-5
Section 1 - Chemical Product MSDS Name: N-Chloromethylbenzothiazole-2-Thione, 98% Material Safety Data Sheet
Synonym: 3-Chloromethyl-3H-Benzothiazole-2-Thione
SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
41526-42-5 N-Chloromethylbenzothiazole-2-Thione 98 unlisted
Hazard Symbols: XN
Risk Phrases: 21/22 38 43
SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful in contact with skin and if swallowed. Irritating to skin. May cause sensitization by skin contact.The toxicological properties of this material have not been fully investigated.Moisture sensitive. Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Repeated or prolonged exposure may cause allergic reactions in sensitive individuals.
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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use foam, dry chemical, or carbon dioxide. Use agent most appropriate to extinguish fire. Do NOT get water inside containers.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers.
SECTION 7 - HANDLING and STORAGE
Handling:
Wash hands before eating. Use only in a well-ventilated area. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Keep container tightly closed. Do not allow contact with water. Wash clothing before reuse. Keep from contact with moist air and steam.
Storage:
Store in a cool, dry place. Store in a tightly closed container. Store protected from moisture.
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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 41526-42-5: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron. Wear appropriate 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: white to off-white
Odor: Weakly irritating
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 125 - 128 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H6ClNS2
Molecular Weight: 215.72
SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.
SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 41526-42-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Chloromethylbenzothiazole-2-Thione - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material.
SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 21/22 Harmful in contact with skin and if swallowed. R 38 Irritating to skin. R 43 May cause sensitization by skin contact.
Safety Phrases:
S 24 Avoid contact with skin. S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 41526-42-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 41526-42-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 41526-42-5 is not listed on the TSCA inventory. It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 2/19/1999 Revision #2 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xn
Risk Phrases 43-38-21/22
Safety Phrases 36/37-24
HS Code 2934999090

 Synthetic Route

~93%

3-(chloromethyl)-1,3-benzothiazole-2-thione Structure

3-(chloromethyl...

CAS#:41526-42-5

Literature: D'Amico, John J.; Suba, Lydia; Ruminski, Peter G. Journal of Heterocyclic Chemistry, 1985 , vol. 22, p. 1479 - 1482

~%

3-(chloromethyl)-1,3-benzothiazole-2-thione Structure

3-(chloromethyl...

CAS#:41526-42-5

Literature: Muthusubramanian, Lakshmi; Mitra, Rajat B.; Sundara Rao; Raghavan Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996 , vol. 35, # 12 p. 1331 - 1334

~96%

3-(chloromethyl)-1,3-benzothiazole-2-thione Structure

3-(chloromethyl...

CAS#:41526-42-5

Literature: D'Amico, John J.; Bollinger, Frederic G.; Dahl, William E. Phosphorus and Sulfur and the Related Elements, 1988 , vol. 35, p. 71 - 76

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

2(3h)-benzothiazolethione,3-(chloromethyl)
3-chloromethyl-3h-benzothiazol-2-thione
N-Chloromethyl-benzothiazole-2-thione
3-(chloromethyl)-3-hydrobenzothiazole-2-thione
3-Chlormethyl-3H-benzothiazol-2-thion
3-chloromethyl-3H-benzothiazole-2-thione