3,5-Dichloroanisole - CAS 33719-74-3
Catalog: |
BB021825 |
Product Name: |
3,5-Dichloroanisole |
CAS: |
33719-74-3 |
Synonyms: |
1,3-dichloro-5-methoxybenzene |
IUPAC Name: | 1,3-dichloro-5-methoxybenzene |
Description: | 3,5-Dichloroanisole (CAS# 33719-74-3) is a chlorinated anisole derivative, possessing possible antibacterial activity. It is also an organic building block that can be used for the synthesis of chlorinated chemical compounds, such as polychlorinated dibenzofurans (PCDD/F). |
Molecular Weight: | 177.03 |
Molecular Formula: | C7H6Cl2O |
Canonical SMILES: | COC1=CC(=CC(=C1)Cl)Cl |
InChI: | InChI=1S/C7H6Cl2O/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3 |
InChI Key: | SSNXYMVLSOMJLU-UHFFFAOYSA-N |
Boiling Point: | 97 °C 7.6 mmHg |
Melting Point: | 39-41 °C (dec.) |
Purity: | 95 % |
Density: | 1.289 g/cm3 |
Appearance: | Whitetoyellowcrystalpowde |
MDL: | MFCD00000589 |
LogP: | 3.00200 |
Vapor Pressure: | 0.16 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113511960-A | Synthesis method of 1-chloro-3-methoxy-5-methylbenzene | 20210820 |
CN-110177783-A | For treating the hormone receptor modulator of metabolic condition and illness | 20160823 |
US-2019127337-A1 | Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute | 20160415 |
WO-2017177979-A1 | Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute | 20160415 |
US-10759765-B2 | Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute | 20160415 |
Complexity: | 97.8 |
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: | 3.8 |
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