3,4-Dimethoxyphenethyl bromide - CAS 40173-90-8
Catalog: |
BB024348 |
Product Name: |
3,4-Dimethoxyphenethyl bromide |
CAS: |
40173-90-8 |
Synonyms: |
4-(2-bromoethyl)-1,2-dimethoxybenzene |
IUPAC Name: | 4-(2-bromoethyl)-1,2-dimethoxybenzene |
Description: | 3,4-Dimethoxyphenethyl bromide (CAS# 40173-90-8) is a useful research chemical. |
Molecular Weight: | 245.11 |
Molecular Formula: | C10H13BrO2 |
Canonical SMILES: | COC1=C(C=C(C=C1)CCBr)OC |
InChI: | InChI=1S/C10H13BrO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6H2,1-2H3 |
InChI Key: | LTAGXVMHLFYRNK-UHFFFAOYSA-N |
Boiling Point: | 130-131 °C / 3 mmHg (lit.) |
Density: | 1.336 g/cm3 |
Appearance: | White to yellow solid |
MDL: | MFCD07369769 |
LogP: | 2.64120 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111777501-A | Caffeic acid phenethyl ester derivatives, preparation method thereof, pharmaceutical compositions thereof and application thereof | 20190403 |
TW-201902882-A | Novel nitrocatechol derivatives | 20170613 |
WO-2018230528-A1 | Novel nitrocatechol derivative | 20170613 |
JP-2020158391-A | New nitrocatechol derivative | 20170613 |
US-2016376263-A1 | Bitter taste modifiers including substituted 1-benzyl-3-(1-(isoxazol-4-ylmethyl)-1h-pyrazol-4-yl)imidazolidine-2,4-diones and compositions thereof | 20160726 |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.00989 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.00989 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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