2,5-Cyclohexadiene-1,4-dione,1-oxime supplier

Name
4-NITROSOPHENOL
EINECS
CAS No. 637-62-7
Article Data35
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point 216 °C
Formula C₆H₅NO₂
Boiling Point 265.9 °C at 760 mmHg
Molecular Weight 123.111
Flash Point 114.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Cyclohexadiene-1,4-dione,monooxime (9CI);p-Benzoquinone, monooxime (6CI,7CI,8CI);1,4-Benzoquinone4-oxime;NSC 239647;Quinone 4-oxime;Quinone monooxime;p-Benzoquinone4-oxime;p-Benzoquinone monoxime;p-Benzoquinone oxime;p-Quinone monooxime;p-Quinone monoxime;
PSA 49.66000
LogP 0.51170

2,5-Cyclohexadiene-1,4-dione,1-oxime Specification

The 2,5-Cyclohexadiene-1,4-dione,1-oxime, with the CAS registry number 637-62-7, is also known as p-Quinone monoxime. This chemical's classification codes are Drug / Therapeutic Agent; Mutation Data. This chemical's molecular formula is C₆H₅NO₂. Its IUPAC name is called 4-nitrosophenol.

Physical properties of 2,5-Cyclohexadiene-1,4-dione,1-oxime: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 1.23; (3)ACD/LogD (pH 7.4): 0.31; (4)ACD/BCF (pH 5.5): 4.95; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 106.33; (7)ACD/KOC (pH 7.4): 12.67; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 32.4 cm³; (13)Molar Volume: 99.6 cm³; (14)Surface Tension: 48 dyne/cm; (15)Density: 1.23 g/cm³; (16)Flash Point: 114.6 °C; (17)Enthalpy of Vaporization: 52.41 kJ/mol; (18)Boiling Point: 265.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00544 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1N=O)O
(2)InChI: InChI=1S/C6H5NO2/c8-6-3-1-5(7-9)2-4-6/h1-4,8H
(3)InChIKey: JSTCPNFNKICNNO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	260mg/kg (260mg/kg)		Journal of Medicinal Chemistry. Vol. 21, Pg. 11, 1978.

Product Name

4-NITROSOPHENOL

2,5-Cyclohexadiene-1,4-dione,1-oxime Specification

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