METHYL 3-HYDROXYBENZO[B]THIOPHENE-2-CARBOXYLATE

Modify Date: 2026-07-27 02:04:15

METHYL 3-HYDROXYBENZO[B]THIOPHENE-2-CARBOXYLATE Structure
METHYL 3-HYDROXYBENZO[B]THIOPHENE-2-CARBOXYLATE structure
Common Name METHYL 3-HYDROXYBENZO[B]THIOPHENE-2-CARBOXYLATE
CAS Number 13134-76-4 Molecular Weight 208.23400
Density 1.448g/cm3 Boiling Point 311.9ºC at 760mmHg
Molecular Formula C10H8O3S Melting Point 106-108ºC
MSDS N/A Flash Point 142.4ºC

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name methyl 3-hydroxy-1-benzothiophene-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.448g/cm3
Boiling Point 311.9ºC at 760mmHg
Melting Point 106-108ºC
Molecular Formula C10H8O3S
Molecular Weight 208.23400
Flash Point 142.4ºC
Exact Mass 208.01900
PSA 74.77000
LogP 2.39350
Vapour Pressure 0.000234mmHg at 25°C
Index of Refraction 1.678
InChIKey KNSQDHMBDAMMNO-UHFFFAOYSA-N
SMILES COC(=O)c1sc2ccccc2c1O

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Name: Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate 97% Material Safety Data Sheet
Synonym:
CAS: 13134-76-4
Section 1 - Chemical Product MSDS Name:Methyl 3-hydroxybenzo[b]thiophene-2-carboxylate 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13134-76-4 Methyl 3-hydroxybenzo[b]thiophene-2-ca 97% 236-066-4
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# 13134-76-4: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 106 - 108 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: C10H8O3S
Molecular Weight: 208

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13134-76-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 3-hydroxybenzo[b]thiophene-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
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# 13134-76-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13134-76-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13134-76-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36/37/39
HS Code 2934999090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibition of bovine 5-LOX assessed as inhibition of calcium ionophore A23187-induced...
Source: ChEMBL
Target: 5-lipoxygenase
External Id: CHEMBL2061530
Name: Inhibition of bovine COX1 assessed as inhibition of calcium ionophore A23187-induced ...
Source: ChEMBL
Target: Prostaglandin G/H synthase 1
External Id: CHEMBL2061528
Name: Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 sy...
Source: ChEMBL
Target: Prostaglandin G/H synthase 2
External Id: CHEMBL2061529
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
Name: High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS1303
Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
Total 8, Current Page 1 of 1
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

methyl 3-hydroxy-1-benzothiopene-2-carboxylate

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the LogP of methyl 3-hydroxy-1-benzothiophene-2-carboxylate?
A: LogP of methyl 3-hydroxy-1-benzothiophene-2-carboxylate is 2.39350.
Q: What is the SMILES notation of methyl 3-hydroxy-1-benzothiophene-2-carboxylate?
A: SMILES notation of methyl 3-hydroxy-1-benzothiophene-2-carboxylate is COC(=O)c1sc2ccccc2c1O.
Q: What English synonyms does methyl 3-hydroxy-1-benzothiophene-2-carboxylate have?
A: English synonyms of methyl 3-hydroxy-1-benzothiophene-2-carboxylate: methyl 3-hydroxy-1-benzothiopene-2-carboxylate.
Q: What are the downstream products of methyl 3-hydroxy-1-benzothiophene-2-carboxylate?
A: Related downstream products(CAS) of methyl 3-hydroxy-1-benzothiophene-2-carboxylate: 58108-09-1;22913-24-2;24434-82-0;71572-73-1;75510-51-9.
Q: What is the boiling point of methyl 3-hydroxy-1-benzothiophene-2-carboxylate?
A: Boiling point of methyl 3-hydroxy-1-benzothiophene-2-carboxylate is 311.9ºC at 760mmHg.
Q: What is the InChIKey of methyl 3-hydroxy-1-benzothiophene-2-carboxylate?
A: InChIKey of methyl 3-hydroxy-1-benzothiophene-2-carboxylate is KNSQDHMBDAMMNO-UHFFFAOYSA-N.
Q: What is the molecular formula of methyl 3-hydroxy-1-benzothiophene-2-carboxylate?
A: Molecular formula of methyl 3-hydroxy-1-benzothiophene-2-carboxylate is C10H8O3S.
Q: What is the molecular weight of methyl 3-hydroxy-1-benzothiophene-2-carboxylate?
A: Molecular weight of methyl 3-hydroxy-1-benzothiophene-2-carboxylate is 208.23400.
Q: What is the melting point of methyl 3-hydroxy-1-benzothiophene-2-carboxylate?
A: Melting point of methyl 3-hydroxy-1-benzothiophene-2-carboxylate is 106-108ºC.
Q: What is the polar surface area (PSA) of methyl 3-hydroxy-1-benzothiophene-2-carboxylate?
A: Polar surface area (PSA) of methyl 3-hydroxy-1-benzothiophene-2-carboxylate is 74.77000.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
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