5-Phenyl-2-Thiophenecarboxylic Acid

HCID 736494CAS 19163-24-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(O)c1ccc(-c2ccccc2)s1
InChIKey: QGMFBCDNJUZQBZ-UHFFFAOYSA-N
Summenformel: C11H8O2S
Durchschnittliche Molmasse: 204,25 g/mol
Monoisotopische Masse: 204,0245005

Überblick

5-Phenylthiophene-2-carboxylic acid is a thiophenecarboxylic acid.

Namen und Bezeichner

Bevorzugter Name: 5-Phenyl-2-Thiophenecarboxylic Acid
IUPAC: 5-phenylthiophene-2-carboxylic acid
Englischer Name: 5-Phenylthiophene-2-carboxylic acid
Summenformel: C11H8O2S
Molmasse: 204.25

Namen und Synonyme

5-phenyl-2-thiophenecarboxylic acidRefChem:537695107-050-3811-154-05-Phenylthiophene-2-carboxylic acid19163-24-72-Thiophenecarboxylic acid, 5-phenyl-MFCD01313432SCHEMBL1761545CHEMBL3951007CHEBI:1950515-phenyl-thiophene-2-carboxylic acid

Weitere Namen anzeigen

AKOS B029964AKOS BAR-0576BUTTPARK 98\04-16RARECHEM AL BE 04892-Carboxy-5-phenylthiophene5-phenyl-2-furancarbothioic S-acid

AC-2736AB01102895-03Z57040441JMGAM20050508BB 0222894FT-06005585-Phenyl-2-thenoic Acid

Datenbank-Bezeichner

CAS: 19163-24-7
PubChem CID: 736494
DTXSID: DTXSID20353040
ChEMBL: CHEMBL3951007
ChEBI: CHEBI:195051
EC Number: 107-050-3、811-154-0
Nikkaji: J2.804.626J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 65,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 211

Physikochemische Eigenschaften

Schmelzpunkt: 186 · 186-190°C
Siedepunkt: 393.6 · 393.6±30.0 °C(Predicted)
Dichte: 1.303 · 1.303±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: powder to crystal
pka: 3.52 · 3.52±0.10(Predicted)
Farbe: White to Orange to Green
CAS Datenbank: 19163 · 19163-24-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]