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

Modify Date: 2024-07-18 15:22:17

4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester Structure
4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester structure
 Common Name 4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester
CAS Number 87620-74-4 Molecular Weight 326.30300
Density 1.35g/cm3 Boiling Point 483.2ºC at 760 mmHg
Molecular Formula C17H14N2O5 Melting Point N/A
MSDS N/A Flash Point 246ºC

 Names

Name methyl 2-[4-(6-nitro-2H-1,4-benzoxazin-3-yl)phenyl]acetate

 Chemical & Physical Properties

Density 1.35g/cm3
Boiling Point 483.2ºC at 760 mmHg
Molecular Formula C17H14N2O5
Molecular Weight 326.30300
Flash Point 246ºC
Exact Mass 326.09000
PSA 93.71000
LogP 2.78230
Index of Refraction 1.629

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY1687000
CHEMICAL NAME :
Benzeneacetic acid, 4-(6-nitro-2H-1,4-benzoxazin-3-yl)-, methyl ester
CAS REGISTRY NUMBER :
87620-74-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H14-N2-O5
MOLECULAR WEIGHT :
326.33

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 :
Details of toxic effects not reported other than lethal dose value
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

 Safety Information

HS Code 2934999090

 Synthetic Route

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

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

CAS#:7706-77-6

2-Amino-4-nitrophenol structure

2-Amino-4-nitro...

CAS#:99-57-0

~47%

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

4-(6-Nitro-2H-1...

CAS#:87620-74-4

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

 Precursor & DownStream

Precursor  2

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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Chemsrc provides CAS#:87620-74-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester>> amp version: 4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester

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