6-CHLORO-1-BENZOTHIOPYRAN-4-ONE 1,1-DIOXIDE

Modify Date: 2024-01-23 11:39:37

6-CHLORO-1-BENZOTHIOPYRAN-4-ONE 1,1-DIOXIDE Structure
6-CHLORO-1-BENZOTHIOPYRAN-4-ONE 1,1-DIOXIDE structure
Common Name 6-CHLORO-1-BENZOTHIOPYRAN-4-ONE 1,1-DIOXIDE
CAS Number 90396-06-8 Molecular Weight 230.66800
Density 1.524g/cm3 Boiling Point 467.6ºC at 760mmHg
Molecular Formula C9H7ClO3S Melting Point 148-150ºC
MSDS N/A Flash Point 236.6ºC

 Names

Name 6-chloro-1,1-dioxo-2,3-dihydrothiochromen-4-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.524g/cm3
Boiling Point 467.6ºC at 760mmHg
Melting Point 148-150ºC
Molecular Formula C9H7ClO3S
Molecular Weight 230.66800
Flash Point 236.6ºC
Exact Mass 229.98000
PSA 59.59000
LogP 2.78090
Index of Refraction 1.608
Storage condition 2-8°C

 MSDS

Name: 6-Chloro-1 2 3 4-tetrahydro-1lambda~6~-benzothiine-1 1 4-trione 97% Material Safety Data Sheet
Synonym: -Chlorothiochroman-4-one6-Chlorothiochroman-4-one-1,1-dioxid
CAS: 90396-06-8
Section 1 - Chemical Product MSDS Name:6-Chloro-1 2 3 4-tetrahydro-1lambda~6~-benzothiine-1 1 4-trione 97% Material Safety Data Sheet
Synonym:-Chlorothiochroman-4-one6-Chlorothiochroman-4-one-1,1-dioxid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
90396-06-8 6-Chloro-1,2,3,4-tetrahydro-1lambda~6~ 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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:
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 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:
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# 90396-06-8: 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: white crystalline solid
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 148 - 150 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: C9H7ClO3S
Molecular Weight: 231

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 90396-06-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Chloro-1,2,3,4-tetrahydro-1lambda~6~-benzothiine-1,1,4-trione - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 90396-06-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 90396-06-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 90396-06-8 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 Xi: Irritant;
Risk Phrases R36/37/38
HS Code 2932999099

 Synthetic Route

~61%

6-CHLORO-1-BENZOTHIOPYRAN-4-ONE 1,1-DIOXIDE Structure

6-CHLORO-1-BENZ...

CAS#:90396-06-8

Literature: Song, Jiangli; Jones, Lindsay M.; Kumar, G. D. Kishore; Conner, Elizabeth S.; Bayeh, Liela; Chavarria, Gustavo E.; Charlton-Sevcik, Amanda K.; Chen, Shen-En; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G. ACS Medicinal Chemistry Letters, 2012 , vol. 3, # 6 p. 450 - 453

~17%

6-CHLORO-1-BENZOTHIOPYRAN-4-ONE 1,1-DIOXIDE Structure

6-CHLORO-1-BENZ...

CAS#:90396-06-8

Literature: Phosphorus and Sulfur and the Related Elements, , vol. 19, p. 31 - 44

~%

6-CHLORO-1-BENZOTHIOPYRAN-4-ONE 1,1-DIOXIDE Structure

6-CHLORO-1-BENZ...

CAS#:90396-06-8

Literature: Phosphorus and Sulfur and the Related Elements, , vol. 19, p. 31 - 44

 Precursor & DownStream

Precursor  2

DownStream  0

 Customs

HS Code 2932999099
Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

6-chlorothiochromanone-S,S-dioxide
6-Chloro-1-benzothiopyran-4-one1,1-dioxide
6-chloro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide
6-chloro-1,1-dioxothiochroman-4-one