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6-Hydroxychlorzoxazone

6-Hydroxychlorzoxazone structure

CAS No:
1750-45-4
Formula:
C7H4ClNO3
Chemical Name:
6-Hydroxychlorzoxazone
Synonyms:
2(3H)-Benzoxazolone,5-chloro-6-hydroxy-;2-Benzoxazolinone,5-chloro-6-hydroxy-;2,6-Benzoxazolediol,5-chloro-;5-Chloro-6-hydroxy-2(3H)-benzoxazolone;6-Hydroxychlorzoxazone;NSC 24955;6-Hydroxylchlorzoxazone;6-Hydroxychloroxazone
Categories:
Analytical Chemistry > Standard

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Description

Off-White Solid

6-Hydroxychlorzoxazone Basic Attributes

Molecular Weight：

185.56

Exact Mass：

185.56

EC Number：

200-659-6

UNII：

M5YLT4Y73F

NSC Number：

24955

DSSTox ID：

DTXSID50169919

HScode：

29349990

Characteristics

PSA：

58.6

XLogP3：

1.59

Appearance：

white to pink

Density：

1.6±0.1 g/cm3

Melting Point：

245-247 °C @ Solvent: Methanol

Refractive Index：

1.651

Water Solubility：

methanol: soluble

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-39/23/24/25-23/24/25-11

safety instructions：

26-45-36/37-16-7

RTECS Number：

DM5260000

Marks：

Xi,T,F

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

6-Hydroxychlorzoxazone is a known human metabolite of chlorzoxazone.

MeSH Entry Terms：

6-hydroxychlorzoxazone

6-Hydroxychlorzoxazone Use and Manufacturing

A major metabolite of chlorzoxazone.Formed by the actions of cytochrome P450IIE1

Computed Properties

Molecular Weight:185.56
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:184.9879707
Monoisotopic Mass:184.9879707
Topological Polar Surface Area:58.6
Heavy Atom Count:12
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes