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| CAS No.: | 2941-72-2 |
|---|---|
| Name: | 6-METHOXY-2-METHYLBENZOTHIAZOLE |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C9H9NOS |
| Molecular Weight: | 179.243 |
| Synonyms: | 2-Methyl-6-methoxybenzothiazole;NSC 93804; |
| EINECS: | 220-931-8 |
| Density: | 1.223 g/cm3 |
| Melting Point: | 182℃ (decomposition) |
| Boiling Point: | 284.2 °C at 760 mmHg |
| Flash Point: | 125.7 °C |
| Solubility: | Insoluble in water. |
| Appearance: | clear yellow liquid |
| Safety: | 23-24/25 |
| PSA: | 50.36000 |
| LogP: | 2.61330 |
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Specification
The Benzothiazole,6-methoxy-2-methyl-, with the CAS registry number 2941-72-2, is also known as 6-Methoxy-2-methylbenzothiazole. It belongs to the product categories of Benzothiazole; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Thiazoles. Its EINECS registry number is 220-931-8. This chemical's molecular formula is C9H9NOS and molecular weight is 179.23886. Its IUPAC name is called 6-methoxy-2-methyl-1,3-benzothiazole. The product should be sealed and stored in cool, dry place. When you are using this chemical, please be cautious about it. You should not breathe vapour and avoid contact with skin and eyes. What's more, this chemical is clear yellow liquid.
Physical properties of Benzothiazole,6-methoxy-2-methyl-: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 2.32; (3)ACD/LogD (pH 7.4): 2.32; (4)ACD/BCF (pH 5.5): 34.16; (5)ACD/BCF (pH 7.4): 34.22; (6)ACD/KOC (pH 5.5): 435.56; (7)ACD/KOC (pH 7.4): 436.35; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.629; (11)Molar Refractivity: 52.07 cm3; (12)Molar Volume: 146.5 cm3; (13)Surface Tension: 46.5 dyne/cm; (14)Density: 1.223 g/cm3; (15)Flash Point: 125.7 °C; (16)Enthalpy of Vaporization: 50.22 kJ/mol; (17)Boiling Point: 284.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00517 mmHg at 25°C.
Uses of Benzothiazole,6-methoxy-2-methyl-: it can be used to produce 2-methyl-benzothiazol-6-ol. This reaction will need reagent concentrated aqueous HCl.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC2=C(S1)C=C(C=C2)OC
(2)InChI: InChI=1S/C9H9NOS/c1-6-10-8-4-3-7(11-2)5-9(8)12-6/h3-5H,1-2H3
(3)InChIKey: DYHLJSUORLPGNT-UHFFFAOYSA-N