6-Nitrobenzoxazole-2(3H)-one - CAS 4694-91-1

Catalog:	BB026196
Product Name:	6-Nitrobenzoxazole-2(3H)-one
CAS:	4694-91-1
Synonyms:	6-nitro-3H-1,3-benzoxazol-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-nitro-3H-1,3-benzoxazol-2-one
Description:	6-Nitrobenzoxazole-2(3H)-one (CAS# 4694-91-1) is a useful research chemical.
Molecular Weight:	180.12
Molecular Formula:	C7H4N2O4
Canonical SMILES:	C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2
InChI:	InChI=1S/C7H4N2O4/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
InChI Key:	JGYJZHYTADCWIK-UHFFFAOYSA-N
Melting Point:	248-252 °C (lit.)
Purity:	95 %
Density:	1.58 g/cm³
Appearance:	White to tan powder or crystals
MDL:	MFCD00092622
LogP:	1.96480

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
EP-3901139-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
US-2021230131-A1	Polyamino biaryl compounds and their use	20180711
DE-102017222001-A1	Agent for the oxidative dyeing of hair containing anisole derivatives	20171206

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Benzoxazole/Benzothiazole

[313402-37-8]
5-(1,3-Benzothiazol-2-yl)-2-methylaniline
[20712-11-2]
6-Nitrobenzo[c]isothiazole
[1855907-41-3]
6-(2,2,3,3-Tetrafluoropropoxy)-1,3-benzothiazol-2-amine
[55202-46-5]
5,7-Dichloro-2-methylbenzoxazole
[1035840-42-6]
1-(1,3-Benzoxazol-2-yl)piperidin-4-one
[858635-83-3]
7-(2-bromoacetyl)-4-hydroxy-2,3-dihydro-1,3-benzothiazol-2-one

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[3973-08-8]
4-Thiazolecarboxylic acid
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[262857-90-9]
(R)-4-(4-Aminobenzyl)-2-oxazolidinone
[117043-86-4]
4-(Aminomethyl)thiazole Hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	249
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.01710661
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.01710661
Rotatable Bond Count:	0
Topological Polar Surface Area:	84.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1