2-Phenylthiophene

HCID 69999CAS 56842-14-9

Substructure search Find similar structures

Basic information

Standard SMILES: c1ccc(-c2cccs2)cc1
InChIKey: PJRGDKFLFAYRBV-UHFFFAOYSA-N
Molecular formula: C10H8S
Average molar mass: 160.24 g/mol
Monoisotopic mass: 160.03467126

Names & identifiers

Preferred name: 2-Phenylthiophene
IUPAC: 2-phenylthiophene
English name: 2-PHENYLTHIOPHENE
Molecular formula: C10H8S
Molecular weight: 160.24

Names & synonyms

2-Phenylthiophene825-55-8DTXSID00876227RefChem:1064178DTXCID801014335871-873-0Thiophene, 2-phenyl-2-phenyl-thiopheneMFCD001300802-phenylthiofuran2- phenylthiophene2-Phenylthiophene, 95%

Show more names

5-PHENYLTHIOPHENE2-Phenylthiophene>Thiophene, 2-phenyl-2-Phenylthiophene,96%2-Phenylthiophene 95%2-Phenylthiophene in isooctane2-PHENYLTHIOPHENE ISO 9001：2015 REACH

PJRGDKFLFAYRBV-UHFFFAOYSA-CS-M2658EN300-1780456842-14-9Thiophene, phenyl-Thiophene, 2-phenyl2-phenyithiopheneFT-0613350

Database identifiers

CAS: 56842-14-9、825-55-8
PubChem CID: 69999
DTXSID: DTXSID00876227
EC Number: 871-873-0
Nikkaji: J112.969D

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 116

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Thiophenes

Physicochemical properties

Melting point: 34 · 34-36 °C(lit.)
Boiling point: 256 °C · 256 °C(lit.)
Density: 1.0645 · 1.0645 (rough estimate)
refractive index: 1.65 · 1.6500 (estimate)
Flash point: 109 °C · 109 °C
storage temp.: 2 · 2-8°C
form: Crystalline Low Melting Mass
color: White to light beige
InChI: InChI=1S/C10H8S/c1-2-5-9(6-3-1)10-7-4-8-11-10/h1-8H
InChIKey: PJRGDKFLFAYRBV-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)SC=CC=1
CAS DataBase Reference: 825 · 825-55-8(CAS DataBase Reference)
EPA Substance Registry System: 2 · Thiophene, 2-phenyl- (825-55-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 280 · P280
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 36 · 36/37
WGK Germany: 3 · 3
HS Code: 29339900 · 29339900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.