β-Bromophenetole - CAS 589-10-6
Catalog: |
BB030201 |
Product Name: |
β-Bromophenetole |
CAS: |
589-10-6 |
Synonyms: |
2-bromoethoxybenzene |
IUPAC Name: | 2-bromoethoxybenzene |
Description: | β-Bromophenetole (CAS# 589-10-6) is a compound useful in organic synthesis. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | C1=CC=C(C=C1)OCCBr |
InChI: | InChI=1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChI Key: | JJFOBACUIRKUPN-UHFFFAOYSA-N |
Boiling Point: | 144 °C (40 mmHg) |
Purity: | 98 % |
Density: | 1.45 g/cm3 |
Appearance: | White solid |
LogP: | 2.46030 |
GHS Hazard Statement: | H302 (86.67%): 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-111377838-A | Alkyl-alkyl sulfone compound with large steric hindrance, and synthetic method and application thereof | 20200309 |
CN-111377838-B | Alkyl-alkyl sulfone compound with large steric hindrance, and synthetic method and application thereof | 20200309 |
CN-110272323-A | A kind of microwave assisted synthesizing method of ethylation reaction | 20190705 |
WO-2020218297-A1 | Polymethine compound | 20190426 |
JP-2020183462-A | Colored resin composition | 20190426 |
Complexity: | 79.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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