Thiophene-3-carboxylic acid

HCID 6918CAS 88-13-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccsc1
InChIKey
YNVOMSDITJMNET-UHFFFAOYSA-N
Molecular formula
C5H4O2S
Average molar mass
128.15 g/mol
Monoisotopic mass
127.99320037

Overview

structure in first source

Names & identifiers

Preferred name
Thiophene-3-carboxylic acid
IUPAC
thiophene-3-carboxylic acid
English name
3-Thiophenezoic acid
Molecular formula
C5H4O2S
Molecular weight
128.15

Names & synonyms

Thiophene-3-carboxylic acidRefChem:9547988-13-13-Thiophenecarboxylic acid3-Thenoic acid3-thiophenezoic acid3-Thienylcarboxylic acidMFCD00005467.beta.-Thiophenic acid.beta.-Thiophenecarboxylic acidCHEMBL1645856V3012Q6BE
Show more names
3-Thenoylic acid3-ThiophenecarboxylicThiophene-3-carboxylic acid ,99%S0503AKOS 207-06JACS-88-13-1AKOS B013976
NSC-66314beta-Thiophenic acid3-Carboxythiophenebeta-Thiophenecarboxylic acidEINECS 201-802-5NSC 66314thiophene-3-carboxylicacidBRN 0001994

Database identifiers

CAS
88-13-1
PubChem CID
6918
DTXSID
DTXSID40236745
ChEMBL
CHEMBL164585
UNII
6V3012Q6BE
EC Number
201-802-5
Nikkaji
J4.287K

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
65.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
8

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
136 · 136-141 °C (lit.)
Boiling point
260 °C · 260°C (estimate)
Density
1.305 · 1.305 (estimate)
refractive index
1.516 · 1.5160 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
0.2 g/10 · water: soluble0.2g/10 mL, clear to almost clear, colorless to slightly brownish-yellow

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
XM8330300
hs_code
29349990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications · 3 items

Description3-Thiophenezoic acid is a polymer monomer that can be used to synthesise thiophene derivative polymers, such as the poly(3-thiophene benzoic acid) (PTPA), the copolymer of 3-bromothiophene (BTP) and 3-thiophenezoic acid (TPA). These compounds are an important class of conductive polymers, typically exhibiting favourable electrochemical activity, environmental stability, and ease of processing.

Uses3-Thiophenecarboxylic Acid was used as a lading compound for the development of a clinic useful D-amino acid inhibitor and have the potential to sever as active site proves to elucidate the structure-function relationships of D-amino acids.

General DescriptionMechanism of photopolymerization of 3-thiophenecarboxylic acid catalyzed by potassium dichromate has been reported.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

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Linked notes

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