Basic information
- CAS
21308-82-7- Standard SMILES
c1cc(-c2ccsc2)ccn1- InChIKey
HVPPTNADZDAEQR-UHFFFAOYSA-N- Molecular formula
- C9H7NS
- Average molar mass
- 161.23 g/mol
- Monoisotopic mass
- 161.0299204
Names & identifiers
- Preferred name
- 4-(3-Thienyl)pyridine
- IUPAC
- 4-thiophen-3-ylpyridine
- English name
- 4-(thiophen-3-yl)pyridine
- Molecular formula
- C9H7NS
- Molecular weight
- 161.22
Names & synonyms
4-(Thiophen-3-yl)pyridine21308-82-74-(3-Thienyl)pyridineDTXSID401319004RefChem:513408DTXCID601744516820-100-5MFCD018600513-(4-pyridyl)-thiophene4-thiophen-3-ylpyridine4-thien-3-ylpyridinePyridine, 4-(3-thienyl)-
Show more names
SCHEMBL1356085SCHEMBL2235750SCHEMBL6294029SCHEMBL9455098SCHEMBL21295626HVPPTNADZDAEQR-UHFFFAOYSA-NWAA30882AKOS004118748
Database identifiers
- CAS
21308-82-7- PubChem CID
- 819002
- DTXSID
DTXSID401319004- EC Number
- 820-100-5
- Nikkaji
- J2.448.795D
Properties
Computed structural properties
- 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
- 121
Physicochemical properties
- Melting point
- 124 · 124-126 °C
- Boiling point
- 236.5 · 236.5±15.0 °C(Predicted)
- Density
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 5.99 · 5.99±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海凯睿生物科技有限公司021-5068 3667/17749785980/1029026415; 17749785980 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…