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| CAS No.: | 16593-81-0 |
|---|---|
| Name: | 4-(2-PYRIDYLAZO)RESORCINOL MONOSODIUM SALT HYDRATE |
| Molecular Structure: | |
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| Formula: | C11H8N3NaO2.H2O |
| Molecular Weight: | 255.21 |
| Synonyms: | 3-hydroxy-4-(pyridin-2-ylhydrazinylidene)cyclohexa-2,5-dien-1-one;PAR INDICATOR GR;PAR [ Mono Sod ] Indicator; |
| EINECS: | 236-339-8 |
| Melting Point: | >300°C |
| Solubility: | Soluble in water |
| Appearance: | deep brown powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 90.13000 |
| LogP: | 3.28210 |
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- Total:30 Page 1 of 1 1
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Specification
This chemical is called 1,3-Benzenediol, 4-(2-pyridinylazo)-, monosodium salt, monohydrate, and its CAS registry number is 16593-81-0. It's stable at normal temperature and pressure and incompatible with strong oxidizing agents, strong bases, strong acids, acid chlorides, acid anhydrides. Additionally, this chemical should be sealed in the cool and dry place.
Other characteristics of the 1,3-Benzenediol, 4-(2-pyridinylazo)-, monosodium salt, monohydrate can be summarised as followings: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 6; (3)Rotatable Bond Count: 2; (4)Tautomer Count: 6; (5)Exact Mass: 255.061986; (6)MonoIsotopic Mass: 255.061986; (7)Topological Polar Surface Area: 78.4; (8)Heavy Atom Count: 18; (9)Formal Charge: 0; (10)Complexity: 377; (11)Undefined Bond StereoCenter Count: 1; (12)Covalently-Bonded Unit Count: 3.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.Canonical SMILES: C1=CC=NC(=C1)NN=C2C=CC(=CC2=O)[O-].O.[Na+]
2.InChI: InChI=1S/C11H9N3O2.Na.H2O/c15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11;;/h1-7,15H,(H,12,14);;1H2/q;+1;/p-1
3.InChIKey: RJULJOFSBCDEDQ-UHFFFAOYSA-M