1,2,3,4,5-Pentachloro-6-nitrobenzene

Basic Information

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CAS Number

82-68-8

Molecular Formula

C6Cl5NO2

Molecular Weight

295.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

140-143 °C

Boiling Point

328 ºC

Density

1.718 g/cm3 at 25 °C

Solubility

toluene: soluble50mg/mL, clear, faintly to slightly yellow

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9

InChIKey

LKPLKUMXSAEKID-UHFFFAOYSA-N

LogP

log Kow = 4.22

Complexity

219

Safety Information

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GHS Hazard Pictograms

H351

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

Stability

Stable. Incompatible with strong bases, strong oxidizing agents.

Toxicity

LD50 in male, female rats (g/kg): 1.71 ±0.20, 1.65 ±0.17 by gavage (Finnegan)

Synonyms & References

English

CHEMBL468759
EPA Pesticide Chemical Code 056502
Pentachloronitrobenzene (Quintobenzene)
Benzene, pentachloronitro-
MLS002454434
pentachloronitro benzene
NCGC00259496-01
Marison Forte
SA Terraclor
Tri PCNB
CAS-82-68-8
Pentacloronitrobenceno
BIDD:ER0635
CCRIS 495
NSC58427
BRN 1914324
RCRA waste number U185
PCNB, quintozene
Benezene, pentachloronitro-
Canada Pesticide Mixture 4 ver. 2 20-500 microg/mL in Acetonitrile
Tox21_301060
OLPISAN
KOBU
Quintozen
Pentachlornitrobenzol
AI3-23024
NCGC00091305-03
Tubergran (Salt/Mix)
Terraclor 30 G
FT-0631375
Tri-PCNB

MDL Number

MFCD00007065

Customs Code

2904909013

FAQ

What is 1,2,3,4,5-Pentachloro-6-nitrobenzene (CAS: 82-68-8)?

1,2,3,4,5-Pentachloro-6-nitrobenzene (CAS: 82-68-8) is a chlorinated organic compound with the molecular formula C6HCl5NO2. It is a dark brown solid with a characteristic odor. This compound is used in various industries due to its specific chemical properties.

What are the main uses of 1,2,3,4,5-Pentachloro-6-nitrobenzene (CAS: 82-68-8)?

1,2,3,4,5-Pentachloro-6-nitrobenzene (CAS: 82-68-8) is primarily used in the synthesis of other compounds and in the production of dyes and pigments. It also has applications in the pharmaceutical and textile industries.

Is 1,2,3,4,5-Pentachloro-6-nitrobenzene (CAS: 82-68-8) safe?

1,2,3,4,5-Pentachloro-6-nitrobenzene (CAS: 82-68-8) is not considered safe for general handling due to its toxic and corrosive nature. Protective measures such as wearing appropriate personal protective equipment and following safety guidelines are necessary to prevent exposure and inhalation.

How should 1,2,3,4,5-Pentachloro-6-nitrobenzene (CAS: 82-68-8) be stored?

1,2,3,4,5-Pentachloro-6-nitrobenzene (CAS: 82-68-8) should be stored in a tightly sealed container in a cool, dry, and well-ventilated area away from sources of ignition and heat. Avoid exposure to light and moisture. Store in a secure location, out of reach of children and unauthorized personnel.