Cas no 40133-07-1 (4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid)
4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid is a heterocyclic carboxylic acid featuring a saturated benzothiophene core. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its rigid, partially hydrogenated structure enhances stability while maintaining reactivity at the carboxylic acid and thiophene moieties. The compound is useful for constructing fused-ring systems or as a precursor for functionalized derivatives. Its balanced lipophilicity and electronic properties make it valuable in medicinal chemistry for modulating drug-like characteristics. The product is typically supplied with high purity, ensuring reliable performance in demanding synthetic workflows. Proper handling under inert conditions is recommended due to potential sensitivity to oxidation.
40133-07-1 structure
Product Name:4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CAS No:40133-07-1
MF:C9H10O2S
MW:182.239501476288
MDL:MFCD00464469
CID:332174
PubChem ID:2063443
Update Time:2025-07-25
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid
- 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
- 4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID
- Benzo[b]thiophene-2-carboxylicacid, 4,5,6,7-tetrahydro-
- Carboxy-4,5,6,7-tetrahydro-1-benzothiophene
- 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid(SALTDATA: FREE)
- Benzo[b]thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-
- SMR000061095
- Enamine_001826
- Oprea1_686622
- MLS000096433
- ROLXOQXKNDKXTA-UHFFFAOYSA-N
- HMS1399C22
- HMS2179B15
- BCP07425
- SBB009460
- BDBM50427209
- STK349487
- BBL016248
- SCHEMBL1068704
- 4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid;4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic Acid
- CCG-164988
- 4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylicacid
- BB 0237591
- MFCD00464469
- FT-0677810
- 40133-07-1
- 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid, AldrichCPR
- SY019439
- A848146
- EN300-05709
- CS-W008711
- CHEMBL1497209
- Z56822379
- AKOS000121728
- 4,5,6,7-tetrahydrobenzo[b]-thiophene-2-carboxylic acid
- AM20100064
- DTXSID70366266
- F8881-7803
- FS-3054
- ALBB-000244
-
- MDL： MFCD00464469
- Inchi： 1S/C9H10O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h5H,1-4H2,(H,10,11)
- InChI Key： ROLXOQXKNDKXTA-UHFFFAOYSA-N
- SMILES： S1C(C(=O)O)=CC2=C1CCCC2
Computed Properties
- Exact Mass: 182.04000
- Monoisotopic Mass: 181.032325
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 65.5
Experimental Properties
- Color/Form: No data available
- Density: 1.317±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 196 oC
- Boiling Point: 368.1±42.0 °C at 760 mmHg
- Flash Point: 176.4±27.9 °C
- Refractive Index: 1.616
- Solubility: Very slightly soluble (0.26 g/l) (25 o C),
- Water Partition Coefficient: Sparingly soluble in water.(0.26 g/L) (25°C),
- PSA: 65.54000
- LogP: 2.32510
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Security Information
- Signal Word：warning
- Hazard Statement： H315-H319-H335
-
Warning Statement：
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- HazardClass：IRRITANT
- Storage Condition：Keep in dark place,Sealed in dry,2-8°C
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 077911-250mg |
4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid |
40133-07-1 | 98% | 250mg |
￡27.00 | 2022-03-01 | |
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| Fluorochem | 077911-5g |
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40133-07-1 | 98% | 5g |
￡162.00 | 2022-03-01 | |
| Fluorochem | 077911-10g |
4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid |
40133-07-1 | 98% | 10g |
￡256.00 | 2022-03-01 | |
| Chemenu | CM112732-1g |
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$63 | 2021-06-09 | |
| Chemenu | CM112732-5g |
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid |
40133-07-1 | 96% | 5g |
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| Chemenu | CM112732-10g |
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid |
40133-07-1 | 96% | 10g |
$294 | 2021-06-09 | |
| Chemenu | CM112732-25g |
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid |
40133-07-1 | 96% | 25g |
$630 | 2021-06-09 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T845937-5g |
4,5,6,7-Tetrahydrobenzo[b]thiophene-2-carboxylic acid |
40133-07-1 | 98% | 5g |
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| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-EP570-1g |
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40133-07-1 | 98% | 1g |
502.0CNY | 2021-07-16 |
4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid Related Literature
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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