1,4-Dichlorobenzene - CAS 106-46-7
Catalog: |
BB001872 |
Product Name: |
1,4-Dichlorobenzene |
CAS: |
106-46-7 |
Synonyms: |
1,4-dichlorobenzene |
IUPAC Name: | 1,4-dichlorobenzene |
Description: | 1,4-Dichlorobenzene (CAS# 106-46-7) is a versatile building block and a small bioactive molecule, used in various organic synthesis. It is also used as disinfectant, deodorant, and pesticide.This compound is a contaminant of emerging concern (CECs). |
Molecular Weight: | 147.00 |
Molecular Formula: | C6H4Cl2 |
Canonical SMILES: | C1=CC(=CC=C1Cl)Cl |
InChI: | InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H |
InChI Key: | OCJBOOLMMGQPQU-UHFFFAOYSA-N |
Boiling Point: | 174 °C |
Melting Point: | 52-56°C |
Flash Point: | 67°C |
Density: | 1.241 g/cm3 |
Solubility: | less than 1 mg/mL at 73 °F |
Appearance: | White crystal flakes |
Storage: | 0-6°C |
Decomposition: | Hazardous decomposition products formed under fire conditions - carbon oxides, Hydrogen chloride gas |
MDL: | MFCD00000604 |
LogP: | 2.99340 |
Refractive Index: | 1.5434 |
Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, aluminium and its alloys, some plastics. |
Vapor Pressure: | 1.03 mm Hg ( 25 °C) |
GHS Hazard Statement: | H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P201, P202, P264, P273, P280, P281, P305+P351+P338, P308+P313, P337+P313, P391, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
33785322 | 20210601 | Asthma symptoms and respiratory infections in Malaysian students-associations with ethnicity and chemical exposure at home and school | Environmental research |
32105654 | 20200401 | MicroRNA biomarkers for chemical hazard screening identified by RNA deep sequencing analysis in mouse embryonic stem cells | Toxicology and applied pharmacology |
30203046 | 20190101 | Chemical Activation of the Constitutive Androstane Receptor Leads to Activation of Oxidant-Induced Nrf2 | Toxicological sciences : an official journal of the Society of Toxicology |
29553459 | 20180312 | Air Toxics in Relation to Autism Diagnosis, Phenotype, and Severity in a U.S. Family-Based Study | Environmental health perspectives |
30114225 | 20180101 | Activation of Nrf2 in the liver is associated with stress resistance mediated by suppression of the growth hormone-regulated STAT5b transcription factor | PloS one |
Complexity: | 54.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.9690055 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.9690055 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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