Basic information
- CAS
68-36-0- Standard SMILES
ClC(Cl)(Cl)c1ccc(C(Cl)(Cl)Cl)cc1- InChIKey
OTEKOJQFKOIXMU-UHFFFAOYSA-N- Molecular formula
- C8H4Cl6
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 309.844416
Overview
structure
Names & identifiers
- Preferred name
- 1,4-Bis(trichloromethyl)benzene
- IUPAC
- 1,4-bis(trichloromethyl)benzene
- English name
- 1,4-Bis(trichloromethyl)benzene
- Molecular formula
- C8H4Cl6
- Molecular weight
- 312.84
Names & synonyms
1,4-BIS(TRICHLOROMETHYL)BENZENE68-36-0BitribenChloksilChloxilChloxylHexicholKhloxilCloxilHetolHexachloroparaxylolKhloksil
Show more names
P303
hexachloroparaxyleneBenzene, 1,4-bis(trichloromethyl)-1,4-Di(trichloromethyl)benzenep-Bis(perchloromethyl)benzenep-Bis(trichloromethyl)benzenealpha,alpha,alpha,alpha',alpha',alpha'-Hexachloro-p-xylenep-Di(trichloromethyl)benzeneHexachloro-4-xylene
Database identifiers
- CAS
68-36-0- PubChem CID
- 6233
- DTXSID
DTXSID7026366- ChEMBL
CHEMBL3182002- UNII
- 42CH2735EU
- EC Number
- 200-686-3
- Nikkaji
- J1.419B
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
PesticidesPesticides -> Organochlorine Pesticides
LogP4.62
Color/FormCRYSTALS FROM HEXANE OR ETHER
Melting Point108-110 °C
Vapor Pressure0.00102 [mmHg]
Physical DescriptionSolid; [Merck Index] Slightly yellow fine crystals; [MSDSonline]
Physicochemical properties
- Melting point
- 106 · 106-110 °C
- Boiling point
- 312 °C · 312 °C
- Density
- 1.6957 · 1.6957 (rough estimate)
- refractive index
- 1.584 · 1.5840 (estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Toxicology
InteractionsVET: POSSIBLE INCOMPATIBILITY WITH ACID FOODSTUFFS, ACID SILAGE, FRESH BEETS, & CABBAGE. KEEP LIVESTOCK OFF THESE FEEDS FOR 1 DAY BEFORE & 3 DAYS AFTER WORMING.
Adverse EffectsOther Poison - Organochlorine
Non-Human Toxicity Excerpts
P-BIS(TRICHLOROMETHYL)BENZENE 100 MG/KG ORALLY DAILY FOR 4 WK IN RATS INCR BODY WT OF 6 OUT OF 7, HAD NO EFFECT ON LIVER OR KIDNEY; 200 MG/KG KILLED 1 & DECR BODY WT & CAUSED VACUOLIZATION OR FATTY DEGENERATION IN LIVER & KIDNEY OF 2 OUT OF 9 RATS.
P-BIS(TRICHLOROMETHYL)BENZENE 300 MG/KG ORALLY & DAILY FOR 4 WK TO RATS INCR BODY WT OF 7 OUT OF 8, HAD NO EFFECT ON LIVER OR KIDNEY, 500 MG/KG DECR BODY WT & CAUSED DEATH IN 3 OUT OF 8 AFTER 8TH, 21ST, & 27TH DOSE. LIVER & KIDNEY SHOWED FATTY DEGENERATION.
100 MG/KG OF DRUG ADMIN ORALLY & DAILY FOR 12 WK INCR BODY WT OF ALL ANIMALS STUDIED, CAUSED NO DEATHS, & HAD NO EFFECT ON LIVER OR KIDNEYS. TRANSIENT HYPOCHROMIC ANEMIA WAS OCCASIONALLY NOTED IN RATS @ ALL DOSE LEVELS (100, 200, 300, 500 MG/KG).
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
Agents used to treat cestode, trematode, or other flatworm infestations in man or animals.
Absorption, Distribution and ExcretionHEXACHLORO-P-XYLENE RESIDUES WERE HIGH IN MILK AFTER ADMIN OF AGRAMED NEU TO CATTLE. HEXACHLORO-P-XYLENE WAS LIPOPHILIC AND STABLE. RESIDUES AVERAGED 10 MG/KG ON 2ND DAY AFTER TREATMENT & 0.1 MG/KG 40 DAYS AFTER TREATMENT.
Uses & manufacturing
Uses
Used as insecticide and veterinary anthelmintic (trematodes); [Merck Index]
Farming (Pesticides) [Category: Industry]
INSECTICIDE; FASCIOLICIDE
MEDICATION (VET)
Methods of ManufacturingUSUALLY OBTAINED BY PHOTOCHLORINATION OF PARA-XYLENE: MCBEE ET AL, IND ENG CHEM 39, 298 (1947)...LIGETT, US PATENT 2,654,789 (1953 TO ETHYL CORP).
General Manufacturing InformationBenzene, 1,4-bis(trichloromethyl)-: ACTIVE
Applications
Uses1,4-Bis(trichloromethyl)benzene is one of the potential environmental pollutant being studied.
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
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