CAS 88-13-1|Thiophene-3-carboxylic acid

Introduction：Basic information about CAS 88-13-1|Thiophene-3-carboxylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Thiophene-3-carboxylic acid BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles3
8. Synonyms

Common Name	Thiophene-3-carboxylic acid
CAS Number	88-13-1	Molecular Weight	128.15
Density	1.4±0.1 g/cm3	Boiling Point	271.1±13.0 °C at 760 mmHg
Molecular Formula	C₅H₄O₂S	Melting Point	136-141 °C(lit.)
MSDS	ChineseUSA	Flash Point	117.8±19.8 °C

Names

Name	3-Thiophenecarboxylic Acid
Synonym	More Synonyms

Thiophene-3-carboxylic acid BiologicalActivity

Description	Thiophene-3-carboxylic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog	Research Areas >>Others
In Vitro	3-Thiophenecarboxylic acid 已用于制备新型乙炔单体，这是合成聚（2-甲基丁-2-烯基噻吩-3-羧酸酯）和恶唑啉和恶唑所必需的。它也被用作临床有用的 D-氨基酸抑制剂的开发的负载化合物，并有可能作为活性位点被证明阐明 D-氨基酸的结构-功能关系。

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
InChIKey	YNVOMSDITJMNET-UHFFFAOYSA-N
SMILES	O=C(O)c1ccsc1
Storage condition	Refrigerated.
Water Solubility	4.3 g/L (25 ºC)

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

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%

Articles3

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.

Synonyms

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

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