3-(2-Thienyl)pyridine
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Basic information
- CAS
21298-53-3- 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 propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 41.1 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
5 records
Compound notes
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