4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester

Modify Date: 2025-08-21 19:51:48

4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester Structure
4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester structure
 Common Name 4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester
CAS Number 86818-32-8 Molecular Weight 315.75100
Density 1.29g/cm3 Boiling Point 444.9ºC at 760 mmHg
Molecular Formula C17H14ClNO3 Melting Point N/A
MSDS N/A Flash Point 222.8ºC

 Names

Name methyl 2-[4-(6-chloro-2H-1,4-benzoxazin-3-yl)phenyl]acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.29g/cm3
Boiling Point 444.9ºC at 760 mmHg
Molecular Formula C17H14ClNO3
Molecular Weight 315.75100
Flash Point 222.8ºC
Exact Mass 315.06600
PSA 47.89000
LogP 3.00430
Index of Refraction 1.607
InChIKey WHVIZFUEHCUPHP-UHFFFAOYSA-N
SMILES COC(=O)Cc1ccc(C2=Nc3cc(Cl)ccc3OC2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1576205
CHEMICAL NAME :
Benzeneacetic acid, 4-(6-chloro-2H-1,4-benzoxazin-3-yl)-, methyl ester
CAS REGISTRY NUMBER :
86818-32-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H14-Cl-N-O3
MOLECULAR WEIGHT :
315.77

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity) Kidney, Ureter, Bladder - urine volume increased
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 22,297,1983

 Synthetic Route

methyl 2-[4-(2-chloroacetyl)phenyl]acetate structure

methyl 2-[4-(2-...

CAS#:7706-77-6

2-Amino-4-chlorophenol structure

2-Amino-4-chlor...

CAS#:95-85-2

~49%

4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester Structure

4-(6-Chloro-2H-...

CAS#:86818-32-8

Literature: Shridhar, D. R.; Sastry, C. V. Reddy; Bansal, O. P.; Rao, P. Pulla Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 3 p. 297 - 299

 Synonyms

Methyl 4-(6-chloro-2H-1,4-benzoxazine-3-yl)phenylacetate
4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester
Benzeneacetic acid,4-(6-chloro-2H-1,4-benzoxazin-3-yl)-,methyl ester
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Chemsrc provides CAS#:86818-32-8 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester>> amp version: 4-(6-Chloro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester

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