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100-63-0

100-63-0 structural image
Product Name: Phenylhydrazine
Formula: C6H8N2
Synonyms: Hydrazinobenzene;Phenylhydrazine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Phenylhydrazine appears as pale yellow crystals. Melting point 66 °F. Becomes an oily liquid. Toxic by ingestion, inhalation and skin absorption. Flash point 192 °F. Autoignition temperature 345 °F. Soluble in alcohol.
Color/Form Monoclinic prisms or oil
Odor Faint, aromatic odor.
Boiling Point 471 °F at 760 mmHg (with decomposition) (USCG, 1999)
Melting Point 68 °F (USCG, 1999)
Flash Point 190 °F (USCG, 1999)
Solubility Slight (NIOSH, 2023)
Density 1.0978 (USCG, 1999) - Denser than water; will sink
Vapor Density 3.7 (air= 1)
Vapor Pressure 0.04 mmHg at 77 °F (NIOSH, 2023)
LogP log Kow= 1.25
Henry's Law Constant Henry's Law constant = 2.9X10-8 atm-cu m/mole at 25 °C /Estimated/
Autoignition Temperature 345 °F (USCG, 1999)
Decomposition When heated to decomposition it emits highly toxic fumes of /nitrogen oxides/.
Heat of Combustion -875.4 kcal/g mol wt at 20 °C (solid)
Heat of Vaporization 13,711.9 kcal/g mole
Surface Tension 46.1 dynes/cm at 20 °C (in contact with vapor)
Ionization Potential 7.64 eV
Refractive Index Index of refraction: 1.60813 @ 20.3 °C/D
Dissociation Constants Weak base, pK= 5.21 at 15 deg
Kovats Retention Index 1157
Other Experimental Properties Conversion factors: 1 mg/l= 226 ppm; 1 ppm= 4.4 mg/cu m
Chemical Classes Nitrogen Compounds -> Hydrazines

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H315:Skin corrosion/irritation
H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
H341:Germ cell mutagenicity
H350:Carcinogenicity
H372:Specific target organ toxicity, repeated exposure
H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 108.14 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 108.068748264 g/mol
Monoisotopic Mass 108.068748264 g/mol
Topological Polar Surface Area 38 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 57.5
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

Phenylhydrazine appears as pale yellow crystals. Melting point 66 °F. Becomes an oily liquid. Toxic by ingestion, inhalation and skin absorption. It is an aryl hydrazine used in the investigation of oligosaccharides as well as the structure of photosystem II. It is also used in thepreparation of various dyes and pharmaceutical compounds.

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