2-Hydroxy-4-phenylthiazole
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Basic information
- CAS
3884-31-9- Standard SMILES
O=c1[nH]c(-c2ccccc2)cs1- InChIKey
UXIWLHNMLDJWMF-UHFFFAOYSA-N- Molecular formula
- C9H7NOS
- Average molar mass
- 177.22 g/mol
- Monoisotopic mass
- 177.02483502
Names & identifiers
- Preferred name
- 2-Hydroxy-4-phenylthiazole
- IUPAC
- 4-phenyl-3H-1,3-thiazol-2-one
- English name
- 4-Phenyl-2(3H)-thiazolone
- Molecular formula
- C9H7NOS
- Molecular weight
- 177.22
Names & synonyms
2-Hydroxy-4-phenylthiazole3884-31-9DTXSID80351385RefChem:473225DTXCID60302451626-254-84-Phenylthiazol-2(3H)-one4-phenylthiazol-2-ol4-phenyl-3H-1,3-thiazol-2-one4-phenyl-3H-thiazol-2-one4-phenyl-1,3-thiazol-2-ol4-Phenyl-2(3H)-thiazolone
Show more names
BUTTPARK 16\06-684-Phenyl-2-thiazololSALOR-INT L499528-1EA4-phenylthiazolin-2-one
4-phenyl-1,3-thiazol-2(3H)-oneMFCD006659542(3H)-Thiazolone, 4-phenyl-4-Phenyl-thiazol-2-ol2-Hydroxy-4-phenylthiazolMLS000704959SCHEMBL957329SCHEMBL3761557
Database identifiers
- CAS
3884-31-9- PubChem CID
- 698903
- DTXSID
DTXSID80351385- ChEMBL
CHEMBL1458700- EC Number
- 626-254-8
- Nikkaji
- J1.721.647C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 207 · 207-211 °C
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- 8.71 · 8.71±0.40(Predicted)
- form
- solid
- InChI
- 1S/C9H7NOS/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
- InChIKey
- UXIWLHNMLDJWMF-UHFFFAOYSA-N
- SMILES
- Oc1nc(cs1)-c2ccccc2
- CAS DataBase Reference
- 3884 · 3884-31-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- hs_code
- 2934100090
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
Related reactions
7 records
Compound notes
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