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1131-09-5

1131-09-5 structure
1131-09-5 structure

Name 2-(1-benzothiophen-3-yl)acetic acid
Synonyms 1-Benzothiophen-3-ylacetic acid
EINECS 214-461-2
Acetic acid,3-benzo(b)thienyl
MFCD00051637
2-(benzo[b]thiophen-3-yl)acetic acid
Benzothiophene-3-acetic acid
1-benzothiophen-3-yl-acetic acid
Benzo[b]thiophene-3-acetic acid
3-benzo[b]thienylacetic acid
3-Benzo(b)thiopheneacetic acid
(Benzo[b]thiophen-3-yl)acetic acid
<1>benzothien-3-ylacetic acid
Density 1.4±0.1 g/cm3
Boiling Point 378.7±17.0 °C at 760 mmHg
Melting Point 82 °C
Molecular Formula C10H8O2S
Molecular Weight 192.234
Flash Point 182.9±20.9 °C
Exact Mass 192.024506
PSA 65.54000
LogP 3.67
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.688
Material Safety Data Sheet

Section1. Identification of the substance
Product Name: Benzo[b]thiophene-3-acetic acid
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302:Harmful if swallowed
H319:Causes serious eye irritation
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

Section3. Composition/information on ingredients.
Ingredient name:Benzo[b]thiophene-3-acetic acid
CAS number:1131-09-5

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
Melting point:No data
Flash point:No data
Density:No data
Molecular formula:C10H8O2S
Molecular weight:192.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, sulfur oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF4800000
CHEMICAL NAME :
Acetic acid, 3-benzo(b)thienyl-
CAS REGISTRY NUMBER :
1131-09-5
BEILSTEIN REFERENCE NO. :
0143357
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H8-O2-S
MOLECULAR WEIGHT :
192.24
WISWESSER LINE NOTATION :
T56 BSJ D1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,598,1965
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JSOOAX Journal of the Chemical Society, Section C: Organic. (London, UK) No.1-24, 1966-71. For publisher information, see JCPRB4. Volume(issue)/page/year: (12),1612,1969
Hazard Codes Xi: Irritant;
Risk Phrases R22;R36/37/38
Safety Phrases S26-S36/37/39
RTECS AF4800000
HS Code 2934999090

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Literature: Journal of the American Chemical Society, , vol. 70, p. 3768,3769 Journal of the American Chemical Society, , vol. 71, p. 2856,2857

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Literature: Journal of the American Chemical Society, , vol. 70, p. 3768,3769 Journal of the American Chemical Society, , vol. 71, p. 2856,2857

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Literature: Chemistry of Heterocyclic Compounds, , vol. 39, # 4 p. 539 - 540

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1131-09-5

Literature: Journal of the Chemical Society, , p. 1697

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Literature: Journal of the Chemical Society, , p. 1697

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1131-09-5

Literature: Chemische Berichte, , vol. 91, p. 172,177

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1131-09-5

Literature: Journal of the American Chemical Society, , vol. 70, p. 3768,3769 Journal of the American Chemical Society, , vol. 71, p. 2856,2857
HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%