CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Ortho-benzyl-para-chlorophenol appears as white to light tan or pink flakes or white crystals. Insoluble in water. Slight phenolic odor. (NTP, 1992) |
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Color/Form | White to light tan or pink flakes |
Odor | White to light tan or pink flakes |
Boiling Point | 320 to 324 °F at 3.5 mmHg (NTP, 1992) |
Melting Point | 119.3 °F (NTP, 1992) |
Flash Point | 370 °F (NTP, 1992) |
Solubility | less than 1 mg/mL at 61 °F (NTP, 1992) |
Density | 1.22 (NTP, 1992) - Denser than water; will sink |
Vapor Pressure | 0.1 mmHg at 68 °F (NTP, 1992) |
LogP | log Kow = 3.6 |
Decomposition | When heated to decomposition it emits toxic fumes of /hydrogen chloride/. |
Corrosivity | Noncorrosive to most metals |
Kovats Retention Index | 1852.8 |
Other Experimental Properties | Crystallizing point 45 °C min; dispersible in aqueous media with aid of soaps or synthetic dispersing agents |
Chemical Classes | Other Classes -> Halogenated Polyaromatics |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Corrosion Corrosives GHS05 Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H332:Acute toxicity,inhalation H351:Carcinogenicity H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
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. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 218.68 g/mol |
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XLogP3 | 4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
Exact Mass | 218.0498427 g/mol |
Monoisotopic Mass | 218.0498427 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 189 |
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
Ortho-benzyl-para-chlorophenol appears as white to light tan or pink flakes or white crystals. Insoluble in water. Slight phenolic odor. (NTP, 1992)