methyl 3-isothiocyanatothiophene-2-carboxylate

Modify Date: 2024-01-02 21:32:40

methyl 3-isothiocyanatothiophene-2-carboxylate Structure
methyl 3-isothiocyanatothiophene-2-carboxylate structure
Common Name methyl 3-isothiocyanatothiophene-2-carboxylate
CAS Number 81321-10-0 Molecular Weight 199.25000
Density 1.35g/cm3 Boiling Point 340.3ºC at 760 mmHg
Molecular Formula C7H5NO2S2 Melting Point 57ºC
MSDS N/A Flash Point 159.6ºC

 Names

Name methyl 3-isothiocyanatothiophene-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.35g/cm3
Boiling Point 340.3ºC at 760 mmHg
Melting Point 57ºC
Molecular Formula C7H5NO2S2
Molecular Weight 199.25000
Flash Point 159.6ºC
Exact Mass 198.97600
PSA 98.99000
LogP 2.26900
Index of Refraction 1.63

 MSDS

Name: Methyl 3-isothiocyanatothiophene-2-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS: 81321-10-0
Section 1 - Chemical Product MSDS Name:Methyl 3-isothiocyanatothiophene-2-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
81321-10-0 Methyl 3-isothiocyanatothiophene-2-car 97% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes 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 foam, dry chemical, or carbon dioxide.

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# 81321-10-0: 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: light pink
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 56 - 59 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: C7H5NO2S2
Molecular Weight: 199

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 81321-10-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 3-isothiocyanatothiophene-2-carboxylate - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
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.
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 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 81321-10-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 81321-10-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 81321-10-0 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 R20/21/22;R36/37/38
Safety Phrases S26-S36/37/39
HS Code 2934999090

 Synthetic Route

~83%

methyl 3-isothiocyanatothiophene-2-carboxylate Structure

methyl 3-isothi...

CAS#:81321-10-0

Literature: Poitout, Lydie; Sackur, Carole; Brault, Valerie; Roubert, Pierre; Plas, Pascale Patent: US2009/209531 A1, 2009 ; Location in patent: Page/Page column 6 ; US 20090209531 A1

~%

methyl 3-isothiocyanatothiophene-2-carboxylate Structure

methyl 3-isothi...

CAS#:81321-10-0

Literature: US2011/86865 A1, ; Page/Page column 10 ;

 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

3-isothiocyanato-2-thiophenecarboxylic acid methyl ester
methyl 3-isothiocyanato-2-thiophenecarboxylate