4-Phenyl-2-(pyridin-3-yl)thiazole
Basic information
- CAS
70031-86-6- Standard SMILES
c1ccc(-c2csc(-c3cccnc3)n2)cc1- InChIKey
JDMNBLHGHILQCV-UHFFFAOYSA-N- Molecular formula
- C14H10N2S
- Average molar mass
- 238.31 g/mol
- Monoisotopic mass
- 238.05646932
Names & identifiers
- Preferred name
- 4-Phenyl-2-(pyridin-3-yl)thiazole
- IUPAC
- 4-phenyl-2-pyridin-3-yl-1,3-thiazole
- English name
- 4-Phenyl-2-(3-pyridyl)thiazole, 97%
- Molecular formula
- C14H10N2S
- Molecular weight
- 238.31
Names & synonyms
4-Phenyl-2-(pyridin-3-yl)thiazole70031-86-6DTXSID10351474RefChem:295455DTXCID903025404-phenyl-2-pyridin-3-yl-1,3-thiazole4-phenyl-2-(3-pyridyl)thiazole3-(4-phenyl-1,3-thiazol-2-yl)pyridine3-(4-PHENYL-2-THIAZOLYL)-PYRIDINEMFCD02366452MLS000765117SMR000288522
Show more names
Pyridine, 3-(4-phenyl-2-thiazolyl)-4-Phenyl-2-(3-pyridyl)thiazole, 97%
Maybridge1_006230Cambridge id 6597927CHEMBL120089cid_701015SCHEMBL7495850SCHEMBL9727038SCHEMBL27676399BDBM93828
Database identifiers
- CAS
70031-86-6- PubChem CID
- 701015
- DTXSID
DTXSID10351474- ChEMBL
CHEMBL120089- EC Number
- 676-985-1
- Nikkaji
- J3.044.029C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
Solubility8.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 52 · 52-56℃
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C14H10N2S/c1-2-5-11(6-3-1)13-10-17-14(16-13)12-7-4-8-15-9-12/h1-10H
- InChIKey
- JDMNBLHGHILQCV-UHFFFAOYSA-N
- SMILES
- C1(C2=CN=CC=C2)=NC(C3=CC=CC=C3)=CS1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- RIDADR
- 2811 · UN2811
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
Danger
H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesAcute Tox. 3 (90.7%)
Safety data
- wgk
- WGK 3
- ridadr
- UN2811
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H315-H319-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
5 records
Compound notes
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