6-NITRO-1,3-BENZOXAZOLE

Name: 6-NITRO-1,3-BENZOXAZOLE
Brand: Zhengzhou Whchem

CAS：17200-30-5 | 6-NITRO-1,3-BENZOXAZOLE | Whchem

CAS: 17200-30-5

Other Names

6-NITRO BENZOXAZOLONE;6-Nitro-benzooxazole;6-Nitrobenzoxazole;6-Nitrobenzo[d]oxazole;Benzoxazole, 6-nitro-;6-NITRO-1,3-BENZOXAZOLE;6-nitrobenzisoxazole

Molecular Formula

Purity

>98%

Molecular Weight

164.12 g/mol

EINECS

200-258-5

Structure Available Verified Product

English Name	6-NITRO-1,3-BENZOXAZOLE
English Synonyms	6-NITRO BENZOXAZOLONE;6-Nitro-benzooxazole;6-Nitrobenzoxazole;6-Nitrobenzo[d]oxazole;Benzoxazole, 6-nitro-;6-NITRO-1,3-BENZOXAZOLE;6-nitrobenzisoxazole
CAS Number	17200-30-5
Molecular Formula	C7H4N2O3
Molecular Weight	164.12 g/mol
EINECS Number	200-258-5
Related Categories
Mol File	Download MOL File
Structure Image

Property	Value
Melting point	150-152°
Boiling point	165-168 °C (Press: 15 Torr)
Density	1.473±0.06 g/cm³ (Predicted)
Storage condition	Keep in dark place, Inert atmosphere, Room temperature
Acidity Coefficient (pKa)	-2.05±0.30 (Predicted)
Appearance	Pale yellow to yellow solid

6-NITRO-1,3-BENZOXAZOLE (CAS 17200-30-5) is a high-purity fine chemical intermediate widely used in organic synthesis, pharmaceutical R&D, agrochemical manufacturing and specialty chemical applications.

As a professional supplier, Zhengzhou Whchem provides 6-NITRO-1,3-BENZOXAZOLE with >98% purity, COA, structure confirmation and flexible packaging, available from research quantities to commercial scale with global shipping.

Category	Description (English Translation)
Uses & Synthesis Methods Production Method: Starting Materials: 122-51-0 (Triethyl orthoformate) 121-88-0 (2-Amino-5-nitrophenol) 17200-30-5 (6-Nitrobenzoxazole) General procedure for the synthesis of 6-nitrobenzoxazole: To a stirred solution of 2-amino-5-nitrophenol (0.5 g, 1 equiv) in triethyl orthoformate (2.7 mL, 5 equiv) was added p-toluenesulfonic acid monohydrate (0.031 g, 0.5 equiv). The reaction mixture was heated at 80°C for 1 hour. After completion, the mixture was cooled to 0°C, and the formed precipitate was collected by filtration. The precipitate was washed successively with cold ether and water. Finally, the solid product was dried under vacuum to afford 6-nitrobenzoxazole (0.38 g, 72% yield). ¹H NMR (400 MHz, DMSO-d₆): δ 9.12 (s, 1H), 8.79 (s, 1H), 8.34 (d, J = 8.40 Hz, 1H), 8.07 (d, J = 8.80 Hz, 1H). References: [1] Green Chemistry, 2013, vol. 15, # 9, p. 2365 - 2368 [2] Patent: WO2014/74657, 2014, A1. Location in patent: Paragraph 00258

Category

Description (English Translation)

Uses & Synthesis Methods

Production Method:

Starting Materials:
122-51-0 (Triethyl orthoformate)
121-88-0 (2-Amino-5-nitrophenol)
17200-30-5 (6-Nitrobenzoxazole)

General procedure for the synthesis of 6-nitrobenzoxazole: To a stirred solution of 2-amino-5-nitrophenol (0.5 g, 1 equiv) in triethyl orthoformate (2.7 mL, 5 equiv) was added p-toluenesulfonic acid monohydrate (0.031 g, 0.5 equiv). The reaction mixture was heated at 80°C for 1 hour. After completion, the mixture was cooled to 0°C, and the formed precipitate was collected by filtration. The precipitate was washed successively with cold ether and water. Finally, the solid product was dried under vacuum to afford 6-nitrobenzoxazole (0.38 g, 72% yield). ¹H NMR (400 MHz, DMSO-d₆): δ 9.12 (s, 1H), 8.79 (s, 1H), 8.34 (d, J = 8.40 Hz, 1H), 8.07 (d, J = 8.80 Hz, 1H).

References:
[1] Green Chemistry, 2013, vol. 15, # 9, p. 2365 - 2368
[2] Patent: WO2014/74657, 2014, A1. Location in patent: Paragraph 00258

Category	Value
HS Code (Customs)	2934999090

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6-NITRO-1,3-BENZOXAZOLE

CAS：17200-30-5 | 6-NITRO-1,3-BENZOXAZOLE | Whchem

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