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| CAS No.: | 1750-45-4 |
|---|---|
| Name: | 6-HYDROXYCHLORZOXAZONE |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C7H4 Cl N O3 |
| Molecular Weight: | 185.567 |
| Synonyms: | 5-chloro-6-hydroxy-2(3h)-benzoxazolone;5-chloro-6-hydroxybenzoxazone;6-hydroxychlorzoxazone;6-hydroxy chlorzoxazone-d2;5-chloro-6-hydroxy-2-benzoxazolinon;5-chloro-6-hydroxy-2-benzoxazolinone;chlorzoxazone, 6-hydroxy major metabolit e of c;5-chloro-6-hydroxy-2(3h)-benzoxazolone, 5-chloro-6-hydroxybenzoxazone;5-chloro-6-hydroxybenzoxazol-2(3h)-one;5-chloro-6-hydroxy-3h-1,3-benzoxazol-2-one;5-chloro-6-hydroxybenzo[d]oxazol-2(3h)-one; |
| EINECS: | 200-659-6 |
| Density: | 1.649 g/cm3 |
| Melting Point: | 240-242°C |
| Appearance: | white to pink |
| Hazard Symbols: |
 Xi
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| Risk Codes: | R36/37/38 |
| Safety: | 26 |
| PSA: | 66.23000 |
| LogP: | 1.48010 |
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Specification
The 6-Hydroxychlorzoxazone with cas registry number of 1750-45-4, is also named 5-chloro-6-hydroxy-2(3h)-benzoxazolone ; 5-chloro-6-hydroxybenzoxazone .The 6-Hydroxychlorzoxazone belongs to the following product categories: (1)Various Metabolites and Impurities; (2)Intermediates & Fine Chemicals; (3)Metabolites & Impurities; (4)Pharmaceuticals.
Physical properties of 6-Hydroxychlorzoxazone :(1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 9.34; (6)ACD/BCF (pH 7.4): 3.52; (7)ACD/KOC (pH 5.5): 171.27; (8)ACD/KOC (pH 7.4): 64.5; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 41.06 cm3; (15)Molar Volume: 112.4 cm3; (16)Polarizability: 16.27 10-24cm3; (17)Surface Tension: 64.2 dyne/cm.
Its storage temperature is 2-8°C.
When you are using this chemical, please be cautious about it as the following:
The 6-Hydroxychlorzoxazone irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure: (1)SMILES:Clc2cc1c(OC(=O)N1)cc2O; (2)InChI:InChI=1/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11); (3)InChIKey:AGLXDWOTVQZHIQ-UHFFFAOYAS ; (4)Std. InChI:InChI=1S/C7H4ClNO3/c8-3-1-4-6(2-5(3)10)12-7(11)9-4/h1-2,10H,(H,9,11); (5)Std. InChIKey:AGLXDWOTVQZHIQ-UHFFFAOYSA-N.