Thiophene-3-carboxylic acid

Suppliers

Names

[ CAS No. ]:
88-13-1

[ Name ]:
Thiophene-3-carboxylic acid

[Synonym ]:
b-Thiophenic Acid
Thiophene-3-carboxylic acid
β-Thiophenecarboxylic acid
b-Thiophenecarboxylic acid
β-Thiophenic acid
EINECS 201-802-5
T5SJ CVQ
3-Carboxythiophene
MFCD00005467
3-Thiophenecarboxylic acid

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
271.1±13.0 °C at 760 mmHg

[ Melting Point ]:
136-141 °C(lit.)

[ Molecular Formula ]:
C₅H₄O₂S

[ Molecular Weight ]:
128.15

[ Flash Point ]:
117.8±19.8 °C

[ Exact Mass ]:
127.993202

[ PSA ]:
65.54000

[ LogP ]:
1.50

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.607

[ Storage condition ]:
Refrigerated.

[ Water Solubility ]:
4.3 g/L (25 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XM8330300

CHEMICAL NAME :: 3-Thiophenecarboxylic acid

CAS REGISTRY NUMBER :: 88-13-1

BEILSTEIN REFERENCE NO. :: 0001994

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C5-H4-O2-S

MOLECULAR WEIGHT :: 128.15

WISWESSER LINE NOTATION :: T5SJ CVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 26,831,1971

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S24/25-S37/39-S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
XM8330300

[ HS Code ]:
29349990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,3,2-Dioxaborinane, 5,5-dimethyl-2-(3-thienyl)-
Carbon dioxide
3-Chlorothiophene
carbon monoxide
3-Bromothiophene
Methanol
3-Thienylmethanol
3-Ethynylthiophene
iodothiophene
Malononitrile

DownStream

3-Thiophenecarbonyl chloride
5-Chlorothiophene-3-carboxylic acid
2,5-Dichlorothiophene-3-Carboxylic Acid
3-thiophenecarboxylic acid hydrazide
5-nitro-N-phenylthiophene-3-carboxamide
3-Thiophenecarboxaldehyde
thiophene-3-carboxamide
5-Nitro-3-thiophenecarboxylic acid
5-bromothiophene-3-carboxamide
2-Iodo-3-thiophenecarboxylicacid

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%

Articles

Synthesis and characterization of polyacetylene with side-chain thiophene functionality.

Int. J. Mol. Sci. 9(3) , 383-93, (2008)

A new polyacetylene derivative with electroactive thiophene substituent, namely poly(2-methylbut-2-enyl thiophene-3-carboxylate) was synthesized and characterized. For this purpose, novel acetylene mo...

1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI).

Bioorg. Med. Chem. Lett. 11(16) , 2061-5, (2001)

1,4-Disubstituted imidazole inhibitors of Staphylococcus aureus and Escherichia coli enoyl acyl carrier protein reductase (FabI) have been identified. Crystal structure data shows the inhibitor 1 boun...

Photochemical polymerization of thiophene derivatives in aqueous solution.

Chem. Commun. (Camb.) (19) , 2222-3, (2004)

A novel method of photochemical polymerization of thiophene derivatives in aqueous solution catalyzed by potassium dichromate and initiated by illumination is described.