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104-91-6

104-91-6 structural image
Product Name: 4-Nitrosophenol
Formula: C6H5NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description P-benzoquinone monoxime is a black solid. (NTP, 1992)
Color/Form PALE YELLOW ORTHORHOMBIC NEEDLES, BROWNS @ 126 °C
Melting Point 270 to 291 °F (decomposes) (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Vapor Pressure 0.15 [mmHg]
Dissociation Constants KA= 3.3X10-7 @ 25 °C
Other Experimental Properties DECOMPOSES @ 144 °C
Chemical Classes Nitrogen Compounds -> Other Aromatics (Nitrogen)

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H228:Flammable solids
H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H341:Germ cell mutagenicity
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 123.11 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 123.032028402 g/mol
Monoisotopic Mass 123.032028402 g/mol
Topological Polar Surface Area 49.7 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 97.2
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

P-benzoquinone monoxime is a black solid. (NTP, 1992)