2-(4-Chlorophenyl)-5-benzoxazoleacetic Acid

Modify Date: 2025-09-24 18:49:42

2-(4-Chlorophenyl)-5-benzoxazoleacetic Acid Structure
2-(4-Chlorophenyl)-5-benzoxazoleacetic Acid structure
Common Name 2-(4-Chlorophenyl)-5-benzoxazoleacetic Acid
CAS Number 51234-85-6 Molecular Weight 287.69800
Density 1.408g/cm3 Boiling Point 449.4ºC at 760 mmHg
Molecular Formula C15H10ClNO3 Melting Point N/A
MSDS N/A Flash Point 225.6ºC

 Names

Name α-Desmethyl Benoxaprofen
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.408g/cm3
Boiling Point 449.4ºC at 760 mmHg
Molecular Formula C15H10ClNO3
Molecular Weight 287.69800
Flash Point 225.6ºC
Exact Mass 287.03500
PSA 63.33000
LogP 3.77530
Index of Refraction 1.656
InChIKey MQBAVJCSIXDBPU-UHFFFAOYSA-N
SMILES O=C(O)Cc1ccc2oc(-c3ccc(Cl)cc3)nc2c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DM4436010
CHEMICAL NAME :
5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-
CAS REGISTRY NUMBER :
51234-85-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H10-Cl-N-O3
MOLECULAR WEIGHT :
287.71

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 :
>1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,53,1975

 Safety Information

HS Code 2934999090

 Synthetic Route

~63%

2-(4-Chlorophenyl)-5-benzoxazoleacetic Acid Structure

2-(4-Chlorophen...

CAS#:51234-85-6

Literature: Huegel, Helmut M. Synthetic Communications, 1985 , vol. 15, # 12 p. 1075 - 1080

~%

2-(4-Chlorophenyl)-5-benzoxazoleacetic Acid Structure

2-(4-Chlorophen...

CAS#:51234-85-6

Literature: Huegel, Helmut M. Synthetic Communications, 1985 , vol. 15, # 12 p. 1075 - 1080

 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%

 Synonyms

2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]acetic acid
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