5-Phenylthiophene-2-carbaldehyde

HCID 177053CAS 19163-21-4

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1ccc(-c2ccccc2)s1
InChIKey: APWHJDHTLFVWSQ-UHFFFAOYSA-N
Molecular formula: C11H8OS
Average molar mass: 188.25 g/mol
Monoisotopic mass: 188.02958588

Names & identifiers

Preferred name: 5-Phenylthiophene-2-carbaldehyde
IUPAC: 5-phenylthiophene-2-carbaldehyde
English name: 5-PHENYL-2-THIOPHENECARBALDEHYDE
Molecular formula: C11H8OS
Molecular weight: 188.25

Names & synonyms

5-Phenylthiophene-2-carbaldehyde19163-21-4DTXSID90940805RefChem:537745DTXCID401369261819-471-65-Phenyl-2-thiophenecarbaldehyde5-Phenylthiophene-2-carboxaldehyde2-Thiophenecarboxaldehyde, 5-phenyl-MFCD011517525-phenyl-2-thiophenecarboxaldehyde2-Thiophenecarboxaldehyde,5-phenyl-

Show more names

SKL047AKOS BAR-0518RARECHEM AK MA K0105-PHENYL-2-THIOPHENECARBOXALDEHYD&5-phenyl-2-thiophenemethylaldehyde

2-formyl-5-phenylthiophene5-formyl-2-phenylthiophene2-formyl-5-phenyl-thiopheneSCHEMBL707835-phenylthiophene-2-aldehydeSCHEMBL1514398SCHEMBL1521694SCHEMBL2876598

Database identifiers

CAS: 19163-21-4
PubChem CID: 177053
DTXSID: DTXSID90940805
ChEMBL: CHEMBL3764456
EC Number: 819-471-6
Nikkaji: J926.065J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 175

Physicochemical properties

Melting point: 92 · 92-95 °C (lit.)
Boiling point: 105 °C · 105 °C(Press: 0.25 Torr)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
form: powder to crystal
color: White to Orange to Green
InChI: 1S/C11H8OS/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-8H
InChIKey: APWHJDHTLFVWSQ-UHFFFAOYSA-N
SMILES: [H]C(=O)c1ccc(s1)-c2ccccc2
CAS DataBase Reference: 19163 · 19163-21-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2934999090 · 2934999090
Storage Class: 11 · 11 - Combustible Solids

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.