Basic information
- CAS
7012-37-5- Standard SMILES
Clc1ccc(-c2ccc(Cl)cc2Cl)cc1- InChIKey
BZTYNSQSZHARAZ-UHFFFAOYSA-N- Molecular formula
- C12H7Cl3
- Average molar mass
- 257.5 g/mol
- Monoisotopic mass
- 255.961333
Overview
2,4,4'-trichlorobiphenyl is a polychlorobiphenyl.
Names & identifiers
- Preferred name
- 2,4,4'-Trichlorobiphenyl
- IUPAC
- 2,4-dichloro-1-(4-chlorophenyl)benzene
- English name
- 2,4,4'-Trichlorobiphenyl
- Molecular formula
- C12H7Cl3
- Molecular weight
- 257.54
Names & synonyms
2,4,4'-TRICHLOROBIPHENYL7012-37-5Pcb 282,4,4'-Trichloro-1,1'-biphenyl1,1'-Biphenyl, 2,4,4'-trichloro-2,4-dichloro-1-(4-chlorophenyl)benzeneBiphenyl, 2,4,4'-trichloro-4,2',4'-TrichlorobiphenylPCB-28DTXSID2038310844ODP31Q0RefChem:53614
Show more names
k28NO 28BZ NO 28PCB NO 282,4,4'-CB2,4,4'-PCB2,4,4´PCBCONGENER28
DTXCID0018310230-293-2Pcb281,1'-Biphenyl,2,4,4'-trichloro-PCB No. 282,4,4 inverted exclamation marka-Trichlorobiphenyl2,4,4'-TRICHLOROBIPHENYL (IUPAC N. 28) (purity)CB-28
Database identifiers
- CAS
7012-37-5- PubChem CID
- 23448
- DTXSID
DTXSID2038310- ChEBI
CHEBI:233161- UNII
- 844ODP31Q0
- EC Number
- 230-293-2
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
PolymersPolychlorinated biphenyl
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.62
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
144.79 Ų [M]+ [CCS Type: TW; Buffer gas: N2; Ionization: GC-APCI+]
149 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
149.2 Ų [M-Cl+O]-
Physicochemical properties
- Melting point
- 206 · 206-207℃
- Boiling point
- 334.36 °C · 334.36°C (rough estimate)
- Density
- 1.351 · 1.3510 (rough estimate)
- refractive index
- 1.604 · 1.6040 (rough estimate)
- Flash point
- 100 °C · 100 °C
- storage temp.
- 2 · 2-8°C
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
Warning
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Hazard Traits - Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Hepatotoxicity and Digestive System Toxicity; Immunotoxicity; Neurotoxicity; Reproductive Toxicity
Directive 2002/32/EC
Substance: 2,4,4'-trichlorobiphenyl
Hazard Classes and CategoriesSTOT RE 2 (100%)
Safety & protection
Minimum Risk LevelIntermediate Oral: 0.03 ug/kg/day (L134)
Toxicology
Treatment
There are no specific treatments for PCB poisoning, since it is not usually recognized until after substantial chronic exposure. Only preventing further exposure and treating the observed symptoms can be done. Acute inhalation can be treated by administering oxygen. (L4)
Health Effects
The most common health effects of PCBs are skin conditions such as chloracne and rashes. Chronic PCB exposure has also been shown to cause liver, stomach and kidney, damage, jaundice, edema, anemia, changes in the immune system, behavioral alterations, and impaired reproduction. (L4)
Chemistry & industry
Pharmacology
Metabolism/Metabolites
PCBs are absorbed via inhalation, oral, and dermal routes of exposure. They are trasported in the blood, often bound to albumin. Due to their lipophilic nature they tend to accumulate in lipid-rich tissues, such as the liver, adipose, and skin. Metabolism of PCBs is very slow and varies based on the degree and position of chlorination. PCBs are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 enzymes to polar metabolites that can undergo conjugation with glutathione and glucuronic acid. The major metabolites are hydroxylated products which are excreted in the bile and faeces. The slow metabolism of PCBs means they tend to accumulate in body tissues. (L4, T6)
Uses & manufacturing
Uses
PCBs were used as coolants and lubricants in transformers, capacitors, and other electrical devices (such as fluorescent lights and refridgerators) produced before 1977. PCBs may contaminate the air and water near hazardous waste sites. In addition, PCBs bioaccumulate in the environment and may be found in fish, meat, and dairy products. (L4)
Applications
Uses2,4,4'-Trichlorobiphenyl is a polychlorinated biphenyl (PCB) found in air, soil, mammals, and marine animals.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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