1-Chloro-4-ethylbenzene - CAS 622-98-0
Catalog: |
BB031513 |
Product Name: |
1-Chloro-4-ethylbenzene |
CAS: |
622-98-0 |
Synonyms: |
1-chloro-4-ethylbenzene |
IUPAC Name: | 1-chloro-4-ethylbenzene |
Description: | 1-Chloro-4-ethylbenzene (CAS# 622-98-0) is a useful research chemical. |
Molecular Weight: | 140.61 |
Molecular Formula: | C8H9Cl |
Canonical SMILES: | CCC1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C8H9Cl/c1-2-7-3-5-8(9)6-4-7/h3-6H,2H2,1H3 |
InChI Key: | GPOFSFLJOIAMSA-UHFFFAOYSA-N |
Boiling Point: | 184-185 °C |
Density: | 1.03 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00040855 |
LogP: | 2.90240 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
23025345 | 20121019 | Synergism and inhibition in the combination of visible light and HMPA in SmI2 reductions | The Journal of organic chemistry |
20617049 | 20100401 | Effects of soil oxygen conditions and soil pH on remediation of DDT-contaminated soil by laccase from white rot fungi | International journal of environmental research and public health |
19019354 | 20090101 | Combined analysis of prenatal (maternal hair and blood) and neonatal (infant hair, cord blood and meconium) matrices to detect fetal exposure to environmental pesticides | Environmental research |
18248995 | 20080301 | SAR studies of capsazepinoid bronchodilators 3: The thiourea part (coupling region) and the 2-(4-chlorophenyl)ethyl moiety (C-region) | Bioorganic & medicinal chemistry |
17949707 | 20080201 | A comparison of infant hair, cord blood and meconium analysis to detect fetal exposure to environmental pesticides | Environmental research |
Complexity: | 72.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.0392780 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.0392780 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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