4-(Bromomethyl)-1-chloro-2-methoxybenzene - CAS 103347-14-4
Catalog: |
BB071901 |
Product Name: |
4-(Bromomethyl)-1-chloro-2-methoxybenzene |
CAS: |
103347-14-4 |
Synonyms: |
3-Methoxy-4-chlorobenzyl Bromide; 4-Bromomethyl-1-chloro-2-methoxybenzene; 4-Chloro-3-methoxybenzyl Bromide |
IUPAC Name: | 4-(bromomethyl)-1-chloro-2-methoxybenzene |
Description: | 4-(Bromomethyl)-1-chloro-2-methoxybenzene is an intermediate in the synthesis of 5-(3-((1H-1,2,4-Triazol-1-yl)methyl)-3-hydroxy-4,4-dimethylpentyl)-2-chlorophenol (T767575), which is a tebuconazole impurity. Tebuconazole (T013000) is an ergosterol biosynthesis inhibitor. Fungicide. |
Molecular Weight: | 235.51 |
Molecular Formula: | C8H8BrClO |
Canonical SMILES: | COC1=C(C=CC(=C1)CBr)Cl |
InChI: | InChI=1S/C8H8BrClO/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3 |
InChI Key: | PLBDOPBECRIDKT-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | Pale Yellow Oil |
References: | Gent, D., et al. Plant Dis., 87, 591. |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.94471 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.94471 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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