2,3-Dichloroanisole - CAS 1984-59-4
Catalog: |
BB015346 |
Product Name: |
2,3-Dichloroanisole |
CAS: |
1984-59-4 |
Synonyms: |
2,3-Dichlorophenyl methyl ether; Benzene, 1,2-dichloro-3-methoxy-; Anisole, 2,3-dichloro- |
IUPAC Name: | 1,2-dichloro-3-methoxybenzene |
Molecular Weight: | 177.03 |
Molecular Formula: | C7H6Cl2O |
Canonical SMILES: | COC1=C(C(=CC=C1)Cl)Cl |
InChI: | InChI=1S/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3 |
InChI Key: | HFEASCCDHUVYKU-UHFFFAOYSA-N |
Boiling Point: | 223.4±20.0°C at 760 mmHg |
Melting Point: | 32°C |
Purity: | ≥95% |
Density: | 1.47 g/cm3 |
Solubility: | Soluble in Chloroform, Methanol |
Appearance: | Off-white Low-melting Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00000545 |
LogP: | 3.00200 |
GHS Hazard Statement: | H302+H312 (33.33%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021119176-A | Cyclic peptide compound with Kras inhibitory effect | 20191107 |
JP-6880352-B1 | Cyclic peptide compound with Kras inhibitory effect | 20191107 |
KR-20210064234-A | Cyclic peptide compound having Kras inhibitory action | 20191107 |
WO-2021090855-A1 | Cyclic peptide compound having kras inhibiting action | 20191107 |
WO-2020252041-A1 | Swell1-lrrc8 complex modulators | 20190610 |
PMID | Publication Date | Title | Journal |
20586102 | 20100801 | Temperature- and pressure-dependent study of 35Cl NQR frequency and spin lattice relaxation time in 2,3-dichloroanisole | Magnetic resonance in chemistry : MRC |
19848168 | 20091001 | In vivo biotransformation of 3,3',4,4'-tetrachlorobiphenyl by whole plants-poplars and switchgrass | Environmental science & technology |
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: | 2.9 |
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