CAS 2060-55-1 2,2'-Bithiophene-5-carboxylic acid (HCID 150965)

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Basic information

CAS: 2060-55-1
Standard SMILES: O=C(O)c1ccc(-c2cccs2)s1
InChIKey: PTNWHEHDBNNKEO-UHFFFAOYSA-N
Molecular formula: C9H6O2S2
Average molar mass: 210.3 g/mol
Monoisotopic mass: 209.98092143

Overview

structure given in first source

Names & identifiers

Preferred name: 2,2'-Bithiophene-5-carboxylic acid
IUPAC: 5-thiophen-2-ylthiophene-2-carboxylic acid
English name: 2,2'-BITHIOPHENE-5-CARBOXYLIC ACID
Molecular formula: C9H6O2S2
Molecular weight: 210.27

Names & synonyms

2060-55-12,2'-Bithiophene-5-carboxylic acid5-thiophen-2-ylthiophene-2-carboxylic acid2,2'-Bithiophene-5-CADTXSID80174612RefChem:80697DTXCID1097103[2,2'-Bithiophene]-5-carboxylic acidMFCD001595712,2-Bithiophene-5-carboxylic acidC9H6O2S25-(thiophen-2-yl)thiophene-2-carboxylic acid

Show more names

AKOS BAR-1343RARECHEM AL BE 0292IFLAB-BB F1956-00012,2'-Bithiophene]-5-carboxylic acid2,2-Bis(thiophene)-5-carboxylic acid5-(thien-2-yl)thiophene-2-carboxylic acid

[2,2']Bithiophenyl-5-carboxylic acid5-(2-thienyl)thiophene-2-carboxylic acid[2,2'-Bithiophene]-5-carboxylicacid5-(2-thienyl)-2-thiophenecarboxylic acidSDCCGMLS-0065981.P0015-carboxyl bithiophene5-carboxy-2,2'-bithiopheneorb3030914

Database identifiers

CAS: 2060-55-1
PubChem CID: 150965

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 93.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 208

Physicochemical properties

Melting point: 183 · 183-184 °C
Boiling point: 396.1 · 396.1±32.0 °C(Predicted)
Density: 1.438 · 1.438±0.06 g/cm3(Predicted)
pka: 3.54 · 3.54±0.10(Predicted)
CAS DataBase Reference: 2060 · 2060-55-1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.