3-(2-Thienyl)pyridine

HCID 595145CAS 21298-53-3

Substructure search Find similar structures

Basic information

Standard SMILES: c1cncc(-c2cccs2)c1
InChIKey: ZHBLIWDUZHFSJW-UHFFFAOYSA-N
Molecular formula: C9H7NS
Average molar mass: 161.23 g/mol
Monoisotopic mass: 161.02992022

Names & identifiers

Preferred name: 3-(2-Thienyl)pyridine
IUPAC: 3-thiophen-2-ylpyridine
English name: 3-(2-THIENYL)PYRIDINE
Molecular formula: C9H7NS
Molecular weight: 161.22

Names & synonyms

3-(2-Thienyl)pyridine21298-53-3Pyridine, 3-(2-thienyl)-DTXSID20344216RefChem:92241DTXCID40295291681-053-2ZHBLIWDUZHFSJW-UHFFFAOYSA-N3-(THIOPHEN-2-YL)PYRIDINE3-thiophen-2-ylpyridineMFCD018600522-(3-pyridyl)thiophene

Show more names

AKOS BAR-1352BUTTPARK 121\04-383-(THIEN-2-YL)PYRIDINE3-Thiophene-2-yl-pyridine

3-thien-2-ylpyridine3-(2-thienyl)-pyridine3-thiophen-2-yl-pyridineCHEMBL179618AKOS004118920FD10525AS-58501T3055

Database identifiers

CAS: 21298-53-3
PubChem CID: 595145
DTXSID: DTXSID20344216
ChEMBL: CHEMBL179618
EC Number: 681-053-2
Nikkaji: J141.180B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 95 · 95-100°C 1mm
Density: 1.173 · 1.173±0.06 g/cm3(Predicted)
refractive index: 1.648 · 1.6480
Flash point: 95 · 95-100°C/1mm
storage temp.: RT, protect from light
pka: 4.73 · 4.73±0.10(Predicted)
form: clear liquid
color: White to Yellow to Green
λmax: 284 nm · 284nm(Hexane)(lit.)
BRN: 971159 · 971159
CAS DataBase Reference: 21298 · 21298-53-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Risk Statements: 36 · 36/38
Safety Statements: 26 · 26-36
HS Code: 2934.99 · 2934.99.4400

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 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

hs_code: 2934.99.4400
risk_code: 36/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36
Hazard statements: H315-H319
Precautionary statements: P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313