Cas no 5381-25-9 (benzothiophene-3-carboxylic acid)
5381-25-9 structure
Product Name:benzothiophene-3-carboxylic acid
CAS No:5381-25-9
MF:C9H6O2S
MW:178.207741260529
MDL:MFCD01846406
CID:45786
PubChem ID:601280
Update Time:2025-04-18
benzothiophene-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-Benzothiophene-3-carboxylic acid
- Benzo[b]thiophene-3-carboxylic acid
- 3-Benzothiophenecarboxylic acid
- Thionaphthene-3-carboxylic acid
- 1-Benzothiophene-3-carboxylicacid
- benzothiophene-3-carboxylic acid
- DRBLTQNCQJXSNU-UHFFFAOYSA-N
- THIANAPHTHENE-3-CARBOXYLIC ACID
- Benzothiophene-3-carboxylicacid
- PubChem13463
- KSC178M8D
- STK398230
- SBB007035
- 1-Benzothiophene-3-carboxylic acid #
- VT20004
- RP03107
- NCGC00337406-01
- BB 0256475
- 5381-25-9
- CS-W008166
- FT-0607377
- AM20061108
- A7818
- SY021563
- AC-24589
- AKOS000308267
- EN300-24693
- SDCCGMLS-0065964.P001
- AB01114763-03
- Z199507040
- MFCD01846406
- AS-5647
- J-519712
- DTXSID50345034
- SCHEMBL72502
- B4650
- ALBB-000361
-
- MDL： MFCD01846406
- Inchi： 1S/C9H6O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H,10,11)
- InChI Key： DRBLTQNCQJXSNU-UHFFFAOYSA-N
- SMILES： S1C=C(C(=O)O)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 178.00900
- Monoisotopic Mass: 178.009
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.6
- Topological Polar Surface Area: 65.5
Experimental Properties
- Color/Form: Pale-yellow to Yellow-brown Solid
- Density: 1.419
- Melting Point: 178.0 to 182.0 deg-C
- Boiling Point: 376.2°C at 760 mmHg
- Flash Point: 181.3°C
- Refractive Index: 1.717
- PSA: 65.54000
- LogP: 2.59950
- Solubility: Not determined
benzothiophene-3-carboxylic acid Security Information
-
Symbol:
- Prompt：warning
- Signal Word：Warning
- Hazard Statement： H315,H319,H335
- Warning Statement： P261,P305+P351+P338,P302+P352,P321,P405,P501
- Hazard Category Code： R36/37/38
- Safety Instruction： S26-S37/39
-
Hazardous Material Identification：
- Safety Term：S26;S37/39
- Risk Phrases：R36/37/38
- HazardClass：IRRITANT
- Storage Condition：Keep in dark place,Sealed in dry,Room Temperature
benzothiophene-3-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%
benzothiophene-3-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 025040-1g |
Benzo[b]thiophene-3-carboxylic acid |
5381-25-9 | 96% | 1g |
￡15.00 | 2022-03-01 | |
| Fluorochem | 025040-5g |
Benzo[b]thiophene-3-carboxylic acid |
5381-25-9 | 96% | 5g |
￡56.00 | 2022-03-01 | |
| Fluorochem | 025040-10g |
Benzo[b]thiophene-3-carboxylic acid |
5381-25-9 | 96% | 10g |
￡97.00 | 2022-03-01 | |
| Fluorochem | 025040-25g |
Benzo[b]thiophene-3-carboxylic acid |
5381-25-9 | 96% | 25g |
￡194.00 | 2022-03-01 | |
| AstaTech | 53678-1/G |
BENZOTHIOPHENE-3-CARBOXYLIC ACID |
5381-25-9 | 97% | 1g |
$13 | 2023-09-17 | |
| AstaTech | 53678-5/G |
BENZOTHIOPHENE-3-CARBOXYLIC ACID |
5381-25-9 | 97% | 5g |
$37 | 2023-09-17 | |
| AstaTech | 53678-25/G |
BENZOTHIOPHENE-3-CARBOXYLIC ACID |
5381-25-9 | 97% | 25g |
$179 | 2023-09-17 | |
| Alichem | A169003963-25g |
1-Benzothiophene-3-carboxylic acid |
5381-25-9 | 97% | 25g |
$244.53 | 2023-09-01 | |
| Alichem | A169003963-100g |
1-Benzothiophene-3-carboxylic acid |
5381-25-9 | 97% | 100g |
$706.00 | 2023-09-01 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | B4650-1G |
Benzo[b]thiophene-3-carboxylic Acid |
5381-25-9 | >98.0%(T)(HPLC) | 1g |
￥490.00 | 2024-04-16 |
benzothiophene-3-carboxylic acid Related Literature
-
Derek R. Boyd,Narain D. Sharma,Brian McMurray,Simon A. Haughey,Christopher C. R. Allen,John T. G. Hamilton,W. Colin McRoberts,Rory A. More O'Ferrall,Jasmina Nikodinovic-Runic,Lydie A. Coulombel,Kevin E. O'Connor Org. Biomol. Chem. 2012 10 782
-
Hongyi Li,Chang Yin,Sien Liu,Hua Tu,Ping Lin,Jing Chen,Weiping Su Chem. Sci. 2022 13 13843
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