2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE

Modify Date: 2024-01-17 18:28:15

2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE Structure
2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE structure
Common Name 2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE
CAS Number 7117-31-9 Molecular Weight 211.23800
Density 1.404g/cm3 Boiling Point 379.3ºC at 760 mmHg
Molecular Formula C9H9NO3S Melting Point N/A
MSDS USA Flash Point 183.2ºC

 Names

Name 1-methyl-2,2-dioxo-2λ6,1-benzothiazin-4-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.404g/cm3
Boiling Point 379.3ºC at 760 mmHg
Molecular Formula C9H9NO3S
Molecular Weight 211.23800
Flash Point 183.2ºC
Exact Mass 211.03000
PSA 62.83000
LogP 1.79470
Index of Refraction 1.599

 MSDS

Name: 1-Methyl-1 2 3 4-tetrahydro-2lambda~6~ 1-benzothiazine-2 2 4-trione Material Safety Data Sheet
Synonym: 3,4-Dihydro-1-methyl-2,2,4-trioxobenzo[c]-2,1-triazin
CAS: 7117-31-9
Section 1 - Chemical Product MSDS Name:1-Methyl-1 2 3 4-tetrahydro-2lambda~6~ 1-benzothiazine-2 2 4-trione Material Safety Data Sheet
Synonym:3,4-Dihydro-1-methyl-2,2,4-trioxobenzo[c]-2,1-triazin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7117-31-9 1-Methyl-1,2,3,4-tetrahydro-2lambda~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# 7117-31-9: 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 - off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 119 - 122 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: C9H9NO3S
Molecular Weight: 211

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.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7117-31-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methyl-1,2,3,4-tetrahydro-2lambda~6~,1-benzothiazine-2,2,4-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# 7117-31-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7117-31-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7117-31-9 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

 Synthetic Route

~92%

2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE Structure

2,2-DIOXO-1-MET...

CAS#:7117-31-9

Literature: Shafiq, Muhammad; Zia-Ur-Rehman, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Khan, Siraj Ahmed Journal of the Chilean Chemical Society, 2011 , vol. 56, # 1 p. 527 - 531

~65%

2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE Structure

2,2-DIOXO-1-MET...

CAS#:7117-31-9

Literature: Volovenko, Yulian; Volovnenko, Tatyana; Popov, Kirill Journal of Heterocyclic Chemistry, 2007 , vol. 44, # 6 p. 1413 - 1419

~%

2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE Structure

2,2-DIOXO-1-MET...

CAS#:7117-31-9

Literature: Lombardino,J.G. et al. Journal of Heterocyclic Chemistry, 1972 , vol. 9, p. 315 - 317

~22%

Detail
Literature: Cecchetti; Fravolini; Schiaffella Journal of Heterocyclic Chemistry, 1982 , vol. 19, # 5 p. 1045 - 1050

~%

2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE Structure

2,2-DIOXO-1-MET...

CAS#:7117-31-9

Literature: Shafiq, Muhammad; Zia-Ur-Rehman, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Khan, Siraj Ahmed Journal of the Chilean Chemical Society, 2011 , vol. 56, # 1 p. 527 - 531

~%

2,2-DIOXO-1-METHYL-2,1-BENZOTHIAZIN-4(3H)-ONE Structure

2,2-DIOXO-1-MET...

CAS#:7117-31-9

Literature: Ukrainets; Petrushova; Dzyubenko Chemistry of Heterocyclic Compounds, 2013 , vol. 49, # 9 p. 1378 - 1383 Khim. Geterotsikl. Soedin., 2013 , vol. 49, # 9 p. 1479 - 1485,7

 Synonyms

1-Methyl-1,2,3,4-tetrahydro-2lambda~6~,1-benzothiazine-2,2,4-trione
2,2-Dioxo-1-methyl-2,1-benzothiazin-4(3H)-one
2,2-DIMETHYL-4-[3,4-(METHYLENEDIOXY)PHENYL]-4-OXOBUTYRIC ACID
1-methyl-2,2-dioxo-2
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