Pentachlorobenzene
Also known as 1,2,3,4,5-Pentachlorobenzene, Benzene, pentachloro-, Benzene, 1,2,3,4,5-pentachloro-
Key facts
What buyers check first
- Appearance
- Colorless needles
- Melting point
- 86 °C
- Boiling point
- 277 °C
- Density
- Liquid density: 1.609 g/cm³ at 84 °C
- Solubility
- In water, 0.831 mg/L at 25 °C
- HS code
- 290393
- Category
- Fungicides
- UN number
- UN 3077
What is Pentachlorobenzene?
Plain description, key identifiers and synonyms
Pentachlorobenzene is a member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention. It has a role as a persistent organic pollutant.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 1,2,3,4,5-pentachlorobenzene
- CAS number
- 608-93-5 CAS number cross-checked
- EC number
- 210-172-0
- Molecular formula
- C6HCl5
- UNII
- D62GWO6832
- MDL number
- MFCD00000539
- InChIKey
- CEOCDNVZRAIOQZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
- SMILES (canonical and isomeric)
- C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
Synonyms
- 1,2,3,4,5-Pentachlorobenzene
- Benzene, pentachloro-
- Benzene, 1,2,3,4,5-pentachloro-
- RCRA waste number U183
- QCB
- C6HCl5
- RCRA waste no. U183
- Pentachlorbenzol
- Pentachlorobenzene, 98%
- Pentachlorobenzene 100 microg/mL in Isooctane
- 4-05-00-00669 (Beilstein Handbook Reference)
- 1,3,4,5-Pentachlorobenzene
- DivK1c_001188
- 1,2,3,4,5-pentachloro-benzene
- Pentachlorobenzene, analytical standard
- 2,3,4,5,6-Pentachlorobenzene
- Pentachlorobenzene 10 microg/mL in Acetonitrile
- Pentachlorobenzene 10 microg/mL in Cyclohexane
- Pentachlorobenzene 100 microg/mL in Cyclohexane
- Pentachlorobenzene, PESTANAL(R), analytical standard
- Pentachlorobenzene, certified reference material, TraceCERT(R)
- Pentachlorobenzene, Standard for quantitative NMR, TraceCERT(R)
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Colorless needlesexp.Measured value |
|---|---|
| Odour | Pleasant aromaexp.Measured value |
| Melting point | 86 °Cexp.Measured value |
| Boiling point | 277 °Cexp.Measured value |
| Density | Liquid density: 1.609 g/cm³ at 84 °Cexp.Measured value |
| Solubility | In water, 0.831 mg/L at 25 °Cexp.Measured value |
| Vapour pressure | 0.002 mm Hg at 25 °Cexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 250.34 g/molcalc.Computed value |
|---|---|
| Exact mass | 247.8521 Dacalc.Computed value |
| LogP (octanol/water) | 4.95calc.Computed value |
| Topological polar surface area | 0 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 11calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H228Flammable solid.
- H302Harmful if swallowed.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (12)
- P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
- P240Ground and bond container and receiving equipment.
- P241Use explosion-proof electrical, ventilating and lighting equipment.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P317If swallowed: Get medical help.
- P330Rinse mouth.
- P370 + P378In case of fire: Use appropriate media to extinguish.
- P391Collect spillage.
- P501Dispose of contents and container in accordance with local regulations.
- UN number
- UN 3077
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidPentachlorobenzene suppliers
Controlled substance, listings of documented suppliers only, in the documented ranking
Pentachlorobenzene is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: Stockholm Convention on Persistent Organic Pollutants, HS 2022 subheading 2903.93 (pentachlorobenzene)
Our policy on controlled substancesLicensed buyers can post a request for Pentachlorobenzene with their licence. Our compliance team reviews it before suppliers see it.
Pentachlorobenzene price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Chemical intermediate for pentachloronitrobenzene.
Pentachlorobenzene is not known to have any commercial uses at present. In the past, pentachlorobenzene was one component of a chlorobenzenes mixture used to reduce the viscosity of PCB (polychlorinated biphenyl) products employed for heat transfer. Pentachlorobenzene has also been used in a chlorobenzenes mixture with PCBs in electrical equipment. Pentachlorobenzene was used in the past as an intermediate in manufacture of pentachloronitrobenzene (quintozene), however, quintozene is now made by chlorination of nitrobenzene. Pentachlorobenzene may also have been used in the past as a fungicide and flame retardant.
Formerly used as a dye carrier.
Industries and functions
Pharmacological actions
- Fungicides, Industrial
- Insecticides
Roles
- environmental contaminant
- persistent organic pollutant
How it is made
Chlorination of benzene gives a mixture of tetra-, penta-, and hexachlorobenzenes, from which pentachlorobenzene can be isolated by combined distillation and crystallization steps.
When BHC (benzene hexachloride) is chlorinated in carbon tetrachloride, various substitution derivatives are formed. By use of liquid chlorine, higher substituted derivatives can be obtained. BHC vapor in a mixture with oxygen (air) and chlorine at 470 °C in the presence of a catalyst containing alumina, copper chloride, and potassium chloride yields a mixture of hexachlorobenzene and pentachlorobenzene.
Regulatory status
Inventories, regulations and trade controls that list this substance
Pentachlorobenzene is controlled. Only documented suppliers can list it, and buyers must upload a valid licence with their request. Every request is reviewed before suppliers see it.
Licensed buyers only, every enquiry is reviewed by our compliance team.
Reference: Stockholm Convention on Persistent Organic Pollutants, HS 2022 subheading 2903.93 (pentachlorobenzene)
Our policy on controlled substancesEurope
- EU harmonised classification (CLP Annex VI)Index no: 602-074-00-5
Agriculture and environment
- Stockholm Convention persistent organic pollutant
United States
- TSCA inventory (USA)Status: Active in US commerce, Regulatory flags: Significant new use rule, section 4 test rule or order
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Pentachlorobenzene is traded under.
Pentachlorobenzene (ISO)
- United States95.3%
- Germany2.3%
- India * partner reported1.0%
- Canada91.3%
- Switzerland * partner reported2.7%
- Indonesia1.7%
* Partner reported figures, a lower bound.
The HS code shown for Pentachlorobenzene is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Salt and hydrate forms
Records that share this compound as their parent
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Frequently asked questions
Quick answers about Pentachlorobenzene, based on the data on this page
What is Pentachlorobenzene?
What is the CAS number of Pentachlorobenzene?
What is the molecular formula and weight of Pentachlorobenzene?
What is Pentachlorobenzene used for?
Is Pentachlorobenzene hazardous?
What is the HS code of Pentachlorobenzene?
Can I buy Pentachlorobenzene on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Pentachlorobenzene
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
Request as a licensed buyer
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Pentachlorobenzene with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.
<iframe src="https://www.compoundlist.com/embed/structure/pentachlorobenzene-608-93-5" title="Pentachlorobenzene structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>Explore more in Fungicides or HS code 290393