130-15-4
Product Name:
1,4-Naphthoquinone
Formula:
C10H6O2
Synonyms:
α-Naphthoquinone;1,4-Naphthalenedione, 1,4-Dihydro-1,4-diketonaphthalene;1,4-Naphthoquinone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 1,4-naphthoquinone appears as yellow needles or brownish green powder with an odor of benzoquinone. (NTP, 1992) |
|---|---|
| Color/Form | Yellow triclinic needles from alcohol or petroleum ether |
| Odor | Odor like that of benzoquinone |
| Boiling Point | Sublimes below 212 °F (NTP, 1992) |
| Melting Point | 277 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) |
| Density | 1.422 (NTP, 1992) - Denser than water; will sink |
| Vapor Density | 5.46 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 0.00018 [mmHg] |
| LogP | log Kow = 1.71 |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Heat of Combustion | 1100.8 kcal (solid) |
| Kovats Retention Index | 1410 1418 1427 1365 1384.8 |
| Other Experimental Properties | Begins to sublime below 100 °C |
| Chemical Classes | Other Classes -> Other Aromatic Compounds |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H317:Sensitisation, Skin H330:Acute toxicity,inhalation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H410: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. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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 | 158.15 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 158.036779430 g/mol |
| Monoisotopic Mass | 158.036779430 g/mol |
| Topological Polar Surface Area | 34.1 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 227 |
| 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-naphthoquinone appears as yellow needles or brownish green powder with an odor of benzoquinone. (NTP, 1992)