4-(2-Thiazolylazo)orcinol
Basic information
- CAS
37422-56-3- Standard SMILES
Cc1cc(O)cc(O)c1N=Nc1nccs1- InChIKey
LABKTXRFMJIJAU-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2S
- Average molar mass
- 235.26 g/mol
- Monoisotopic mass
- 235.04154771
Names & identifiers
- Preferred name
- 4-(2-Thiazolylazo)orcinol
- IUPAC
- 5-methyl-4-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol
- English name
- 5-Methyl-4-(2-thiazolylazo)resorcinol
- Molecular formula
- C10H9N3O2S
- Molecular weight
- 235.26
Names & synonyms
37422-56-34-(2-Thiazolylazo)orcinolRefChem:512788626-029-45-Methyl-4-(2-thiazolylazo)resorcinol5-METHYL-4-(THIAZOL-2-YLDIAZENYL)BENZENE-1,3-DIOL5-methyl-4-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol1,3-Benzenediol, 5-methyl-4-(2-thiazolylazo)-5-Methyl-4-(2-thiazolylazo)-1,3-benzenediolTAO~4-(2-Thiazolylazo)orcinolPTK664-(2-thiazolylazo)-orcinol
Show more names
5-METHYL-4-(2-THIAZOLYLAZO)RESORCINOL 98%5-METHYL-4-(2-THIAZOLYLAZO)RESORCINOL, 9 5%5-Methyl-4-(2-thiazolylazo)-1,3-benzenediol, TAO(E)-5-Methyl-4-(thiazol-2-yldiazenyl)benzene-1,3-diol1,3-Benzenediol, 5-methyl-4-[2-(2-thiazolyl)diazenyl]-
4-[(2-Thiazolyl)azo]orcinolSCHEMBL2436261SCHEMBL2436262LABKTXRFMJIJAU-OUKQBFOZSA-NBDBM1893806-(2-THIAZOLYLAZO)ORCINOLMFCD00011562AKOS015916393
Database identifiers
- CAS
37422-56-3- PubChem CID
- 616616
- EC Number
- 626-029-4
- Nikkaji
- J1.662.875A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 211 · 211-213 °C (dec.)(lit.)
- Boiling point
- 441.7 · 441.7±53.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 8.12 · 8.12±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…