Basic information
- CAS
23567-67-1- Standard SMILES
Oc1ccc(Nc2nnns2)cc1- InChIKey
HSMPDEMRJJNQME-UHFFFAOYSA-N- Molecular formula
- C7H6N4OS
- Average molar mass
- 194.22 g/mol
- Monoisotopic mass
- 194.026232
Overview
structure
Names & identifiers
- Preferred name
- 4-(1,2,3,4-Thiatriazol-5-ylamino)phenol
- IUPAC
- 4-(thiatriazol-5-ylamino)phenol
- English name
- p-(1,2,3,4-thiatriazol-5-ylamino)phenol
- Molecular formula
- C7H6N4OS
- Molecular weight
- 194.21
Names & synonyms
23567-67-14-(1,2,3,4-Thiatriazol-5-ylamino)phenolAbbott 31699E2QU2ZKF55RefChem:531478p-(1,2,3,4-Thiatriazol-5-ylamino)phenol4-[(1,2,3,4-thiatriazol-5-yl)amino]phenolPhenol, 4-(1,2,3,4-thiatriazol-5-ylamino)-4-(thiatriazol-5-ylamino)phenol5-(p-Hydroxyanilino)-1,2,3,4-thiatriazoleUNII-E2QU2ZKF55EINECS 245-745-4
Show more names
4-(1,2,3,4-Thiatriazole-5-ylamino)phenol
MFCD00003131Oprea1_474466ABBOTT-31699SCHEMBL5650118DTXSID90946347YAA56767SBB055433AKOS000118644
Database identifiers
- CAS
23567-67-1- PubChem CID
- 90174
- DTXSID
DTXSID90946347- UNII
- E2QU2ZKF55
- EC Number
- 245-745-4
- Nikkaji
- J229.003K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 70 °C · 70 °C(Solv: acetone (67-64-1); water (7732-18-5))
- Boiling point
- 375.3 · 375.3±44.0 °C(Predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Predicted)
- pka
- 9.47 · 9.47±0.26(Predicted)
- FDA UNII
- 2 QU2ZKF55 · E2QU2ZKF55
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
3 records
Compound notes
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