2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE

Modify Date: 2024-01-08 20:22:12

2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE Structure
2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE structure
Common Name 2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE
CAS Number 141492-50-4 Molecular Weight 193.22200
Density 1.31g/cm3 Boiling Point 329.2ºC at 760mmHg
Molecular Formula C9H7NO2S Melting Point 62-64ºC
MSDS N/A Flash Point 152.9ºC

 Names

Name 6-isothiocyanato-2,3-dihydro-1,4-benzodioxine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.31g/cm3
Boiling Point 329.2ºC at 760mmHg
Melting Point 62-64ºC
Molecular Formula C9H7NO2S
Molecular Weight 193.22200
Flash Point 152.9ºC
Exact Mass 193.02000
PSA 62.91000
LogP 2.19210
Vapour Pressure 0.000345mmHg at 25°C
Index of Refraction 1.627

 MSDS

Name: 2 3-Dihydro-1 4-benzodioxin-6-yl isothiocyanate 97% Material Safety Data Sheet
Synonym: 3,4-(Ethylenedioxy)phenyl isothiocyanat
CAS: 141492-50-4
Section 1 - Chemical Product MSDS Name:2 3-Dihydro-1 4-benzodioxin-6-yl isothiocyanate 97% Material Safety Data Sheet
Synonym:3,4-(Ethylenedioxy)phenyl isothiocyanat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
141492-50-4 2,3-Dihydro-1,4-benzodioxin-6-yl isoth 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.
Store under nitrogen.

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# 141492-50-4: 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: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 62 - 64 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: C9H7NO2S
Molecular Weight: 193

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, acids, bases.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 141492-50-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate - 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 LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
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# 141492-50-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 141492-50-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 141492-50-4 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
Risk Phrases R20/21/22
Safety Phrases 26-36/37/39-45
RIDADR UN 2923
HS Code 2932999099

 Synthetic Route

~92%

2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE Structure

2,3-DIHYDRO-1,4...

CAS#:141492-50-4

Literature: Besson, Thierry; Guillard, Jerome; Rees, Charles W.; Thiery, Valerie Journal of the Chemical Society - Perkin Transactions 1, 1998 , # 5 p. 889 - 892

~%

2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE Structure

2,3-DIHYDRO-1,4...

CAS#:141492-50-4

Literature: US5246935 A1, ; US 5246935 A

~49%

2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE Structure

2,3-DIHYDRO-1,4...

CAS#:141492-50-4

Literature: Minegishi, Hidemitsu; Fukashiro, Shinji; Ban, Hyun Seung; Nakamura, Hiroyuki ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 2 p. 297 - 301

~%

2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE Structure

2,3-DIHYDRO-1,4...

CAS#:141492-50-4

Literature: Revue Roumaine de Chimie, , vol. 48, # 4 p. 297 - 300

~%

2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL ISOTHIOCYANATE Structure

2,3-DIHYDRO-1,4...

CAS#:141492-50-4

Literature: Journal of the Chemical Society - Perkin Transactions 1, , # 5 p. 889 - 892

 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-isothiocyanato-2,3-dihydrobenzo[1,4]dioxine
3,4-ethylenedioxyphenylisothiocyanate
1,4-Benzodioxin,2,3-dihydro-6-isothiocyanato
6-isocyanato-2,3-dihydrobenzo[1,4]dioxine
2,3-dihydro-6-isothiocyanato-benzo[b][1,4]dioxine
2,3-dihydro-6-isothiocyanato-1,4-benzodioxin
2,3-DIAMINO-5-BROMO-6-PICOLINE
6-isothiocyanato-2,3-dihydrobenzo[b][1,4]dioxine
1,4-benzodioxin-6-yl isothiocyanate
2,3-Dihydro-1,4-benzodioxin-6-yl isothiocyanate
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