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104-49-4

104-49-4 structural image
Product Name: 1,4-Phenylene diisocyanate
Formula: C8H4N2O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1,4-phenylene diisocyanate appears as white crystals or pale yellow chunky solid. Pungent odor. (NTP, 1992)
Boiling Point 500 °F at 760 mmHg (NTP, 1992)
Melting Point 201 °F (NTP, 1992)
Flash Point greater than 210 °F (NTP, 1992)
Solubility less than 1 mg/mL at 68 °F (NTP, 1992)
Density 1.17 at 212 °F (NTP, 1992) - Denser than water; will sink
Vapor Pressure less than 0.006 mmHg at 68 °F (NTP, 1992)

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
H330:Acute toxicity,inhalation
H334:Sensitisation, respiratory
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
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 160.13 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 160.027277375 g/mol
Monoisotopic Mass 160.027277375 g/mol
Topological Polar Surface Area 58.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 205
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

1,4-phenylene diisocyanate appears as white crystals or pale yellow chunky solid. Pungent odor. (NTP, 1992)