1,3-Diphenyl-1,7a-dihydro-2-benzothiophene

Modify Date: 2024-01-10 19:04:11

1,3-Diphenyl-1,7a-dihydro-2-benzothiophene Structure
1,3-Diphenyl-1,7a-dihydro-2-benzothiophene structure
Common Name 1,3-Diphenyl-1,7a-dihydro-2-benzothiophene
CAS Number 16587-39-6 Molecular Weight 288.406
Density 1.2±0.1 g/cm3 Boiling Point 477.7±45.0 °C at 760 mmHg
Molecular Formula C20H16S Melting Point 114-119ºC
MSDS N/A Flash Point 241.1±25.4 °C

 Names

Name 1,3-diphenyl-2-benzothiophene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 477.7±45.0 °C at 760 mmHg
Melting Point 114-119ºC
Molecular Formula C20H16S
Molecular Weight 288.406
Flash Point 241.1±25.4 °C
Exact Mass 288.097260
PSA 25.30000
LogP 5.97
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.695

 MSDS

Name: 1 3-Diphenylbenzo[c]thiophene 98% Material Safety Data Sheet
Synonym: 1,3-Diphenyl isothianaphthen
CAS: 16587-39-6
Section 1 - Chemical Product MSDS Name:1 3-Diphenylbenzo[c]thiophene 98% Material Safety Data Sheet
Synonym:1,3-Diphenyl isothianaphthen

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16587-39-6 1,3-Diphenylbenzo[c]thiophene 98.0 unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. 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:
No information found.

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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
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:
Antidote: None reported.

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 water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 16587-39-6: 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 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: Powder
Color: yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 118.50 - 121.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C20H14S
Molecular Weight: 286.39

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 16587-39-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3-Diphenylbenzo[c]thiophene - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 16587-39-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16587-39-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16587-39-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Safety Phrases 24/25
HS Code 2934999090

 Synthetic Route

~%

1,3-Diphenyl-1,7a-dihydro-2-benzothiophene Structure

1,3-Diphenyl-1,...

CAS#:16587-39-6

Literature: Journal of Organometallic Chemistry, , vol. 692, # 1-3 p. 60 - 69

~%

1,3-Diphenyl-1,7a-dihydro-2-benzothiophene Structure

1,3-Diphenyl-1,...

CAS#:16587-39-6

Literature: Bulletin de la Societe Chimique de France, , vol. <5> 4, p. 2063,2068 Justus Liebigs Annalen der Chemie, , vol. 630, p. 15

~70%

1,3-Diphenyl-1,7a-dihydro-2-benzothiophene Structure

1,3-Diphenyl-1,...

CAS#:16587-39-6

Literature: Volz, Wolfgang; Voss, Juergen Synthesis, 1990 , # 8 p. 670 - 674

~%

1,3-Diphenyl-1,7a-dihydro-2-benzothiophene Structure

1,3-Diphenyl-1,...

CAS#:16587-39-6

Literature: Journal of Organometallic Chemistry, , vol. 692, # 1-3 p. 60 - 69

 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

1,3-Diphenyl-1,7a-dihydro-2-benzothiophene
1,3-Diphenylisobenzothiophene
1,3-diphenylisothionaphthene
1,3-Diphenylisothianaphthene
1,3-Diphenylisothiobenzofuran
1,3-Diphenyl-benzo[c]thiophen
Benzo[c]thiophene, 1,7a-dihydro-1,3-diphenyl-
1,3-Diphenylbenzo[c]thiophene
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