Methyl 3-Chloro-5-iodobenzoate - CAS 289039-85-6
Catalog: |
BB020008 |
Product Name: |
Methyl 3-Chloro-5-iodobenzoate |
CAS: |
289039-85-6 |
Synonyms: |
3-chloro-5-iodobenzoic acid methyl ester; methyl 3-chloro-5-iodobenzoate |
IUPAC Name: | methyl 3-chloro-5-iodobenzoate |
Description: | Methyl 3-Chloro-5-iodobenzoate (CAS# 289039-85-6) is a useful research chemical. |
Molecular Weight: | 296.49 |
Molecular Formula: | C8H6ClIO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)I)Cl |
InChI: | InChI=1S/C8H6ClIO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3 |
InChI Key: | ZDSIXLJPASGHDW-UHFFFAOYSA-N |
Boiling Point: | 322.7 °C at 760 mmHg |
Density: | 1.837 g/cm3 |
MDL: | MFCD00673018 |
LogP: | 2.73120 |
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 |
WO-2021105091-A1 | Novel heteroaryl-triazole compounds as pesticides | 20191125 |
WO-2021013719-A1 | Novel heteroaryl-triazole compounds as pesticides | 20190723 |
WO-2021013720-A1 | Novel heteroaryl-triazole compounds as pesticides | 20190723 |
WO-2020106741-A1 | Compounds and compositions for treating conditions associated with sting activity | 20181119 |
WO-2019197468-A1 | N-(cyclopropylmethyl)-5-(methylsulfonyl)-n-{1-[1-(pyrimidin-2-yl)-1h-1,2,4-triazol-5-yl]ethyl}benzamide derivatives and the corresponding pyridine-carboxamide derivatives as pesticides | 20180412 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.91010 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.91010 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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