5-Chloro-6-hydroxy-1,3-benzoxazol-2(3H)-one

Modify Date: 2025-08-25 11:06:20

5-Chloro-6-hydroxy-1,3-benzoxazol-2(3H)-one Structure
5-Chloro-6-hydroxy-1,3-benzoxazol-2(3H)-one structure
Common Name 5-Chloro-6-hydroxy-1,3-benzoxazol-2(3H)-one
CAS Number 1750-45-4 Molecular Weight 185.565
Density 1.6±0.1 g/cm3 Boiling Point N/A
Molecular Formula C7H4ClNO3 Melting Point 240-242ºC
MSDS Chinese USA Flash Point N/A
Symbol GHS07
GHS07
Signal Word Warning

 Use of 5-Chloro-6-hydroxy-1,3-benzoxazol-2(3H)-one


6-Hydroxy Chlorzoxazone is a metabolite of Chlorzoxazone (HY-B1462). Chlorzoxazone is a centrally acting muscle relaxant used to treat muscle spasm and the resulting pain or discomfort[1].

 Names

Name 6-Hydroxy Chlorzoxazone
Synonym More Synonyms

  Biological Activity

Description 6-Hydroxy Chlorzoxazone is a metabolite of Chlorzoxazone (HY-B1462). Chlorzoxazone is a centrally acting muscle relaxant used to treat muscle spasm and the resulting pain or discomfort[1].
Related Catalog
References

[1]. Elbarbry F, et al. Studying the Inhibitory Effect of Quercetin and Thymoquinone on Human Cytochrome P450 Enzyme Activities. Pharmacogn Mag. 2018 Jan;13(Suppl 4):S895-S899.  

 Chemical & Physical Properties

Density 1.6±0.1 g/cm3
Melting Point 240-242ºC
Molecular Formula C7H4ClNO3
Molecular Weight 185.565
Exact Mass 184.987976
PSA 66.23000
LogP 1.59
Index of Refraction 1.651
InChIKey AGLXDWOTVQZHIQ-UHFFFAOYSA-N
SMILES O=c1[nH]c2cc(Cl)c(O)cc2o1
Storage condition 2-8°C
Water Solubility methanol: soluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM5260000
CHEMICAL NAME :
2-Benzoxazolinone, 5-chloro-6-hydroxy-
CAS REGISTRY NUMBER :
1750-45-4
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H4-Cl-N-O3
MOLECULAR WEIGHT :
185.57
WISWESSER LINE NOTATION :
T56 BMVOJ GQ HG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 4(1),340,1964

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS DM5260000
HS Code 2934999090

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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 Synonyms

5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
2(3H)-Benzoxazolone, 5-chloro-6-hydroxy-
5-Chloro-6-hydroxy-1,3-benzoxazol-2(3H)-one
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