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

Modify Date: 2025-12-10 12:31:52

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

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

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
InChIKey	KDYHPRRSLXBRNF-UHFFFAOYSA-N
SMILES	COC(=O)Cc1ccc(C2=Nc3cc([N+](=O)[O-])ccc3OC2)cc1

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

HS Code	2934999090

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

CAS#:7706-77-6

2-Amino-4-nitro...

CAS#:99-57-0

~47%

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 2
CAS#:7706-77-6 methyl 2-[4-(2-... CAS#:99-57-0 2-Amino-4-nitro...
DownStream 0

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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Product Name: 4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester
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Purity: 98.0%
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4-(6-Nitro-2H-1,4-benzoxazin-3-yl)benzeneacetic acid methyl ester

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Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.