Thiophene-3-carboxylic acid

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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.


More Articles

Related Compounds

  • 4-iodothiophene-3-carboxylic acid
  • 5-iodothiophene-3-carboxylic acid
  • 5-Chlorothiophene-3-carboxylic acid
  • 2-nitro-thiophene-3-carboxylic acid
  • 2-boronothiophene-3-carboxylic acid
  • 5-Methylthiophene-3-carboxylic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine