2,4-Dichloroanisole - CAS 553-82-2
Catalog: |
BB029019 |
Product Name: |
2,4-Dichloroanisole |
CAS: |
553-82-2 |
Synonyms: |
2,4-dichloro-1-methoxybenzene |
IUPAC Name: | 2,4-dichloro-1-methoxybenzene |
Description: | 2,4-Dichloroanisole (CAS# 553-82-2) is a haloanisole used in consumer products like wines. A contaminant. |
Molecular Weight: | 177.03 |
Molecular Formula: | C7H6Cl2O |
Canonical SMILES: | COC1=C(C=C(C=C1)Cl)Cl |
InChI: | InChI=1S/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3 |
InChI Key: | CICQUFBZCADHHX-UHFFFAOYSA-N |
Boiling Point: | 110 °C |
Melting Point: | 24-27 °C |
Purity: | 99+ % |
Density: | 1.288 g/cm3 |
Appearance: | Clear colourless liquid |
MDL: | MFCD00044772 |
LogP: | 3.00200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111116396-A | Preparation method of bosutinib raw material | 20191218 |
CN-111116397-A | Synthesis method of bosutinib intermediate | 20191218 |
WO-2021000067-A1 | Cell-binding molecule-tubulysin derivative conjugate and preparation method therefor | 20190629 |
JP-2020159000-A | Room odor reduction construction method | 20190325 |
CN-109758461-A | Application of the bosutinib as the inhibitors of enzymes of ASPH | 20190226 |
PMID | Publication Date | Title | Journal |
22418925 | 20120314 | Facile synthesis and herbicidal evaluation of 4H-3,1-benzoxazin-4-ones and 3H-quinazolin-4-ones with 2-phenoxymethyl substituents | Molecules (Basel, Switzerland) |
19071569 | 20070330 | Analysis for chloroanisoles and chlorophenols in cork by stir bar sorptive extraction and gas chromatography-mass spectrometry | Talanta |
17134712 | 20070105 | Fast and sensitive method to determine chloroanisoles in cork using an internally cooled solid-phase microextraction fiber | Journal of chromatography. A |
16405979 | 20060224 | Quantification of chloroanisoles in cork using headspace solid-phase microextraction and gas chromatography with electron capture detection | Journal of chromatography. A |
Complexity: | 108 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.9795702 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.9795702 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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