(2-Chloroethoxy)benzene - CAS 622-86-6
Catalog: |
BB031505 |
Product Name: |
(2-Chloroethoxy)benzene |
CAS: |
622-86-6 |
Synonyms: |
2-chloroethoxybenzene |
IUPAC Name: | 2-chloroethoxybenzene |
Description: | (2-Chloroethoxy)benzene (CAS# 622-86-6) is a compound useful in organic synthesis. |
Molecular Weight: | 156.61 |
Molecular Formula: | C8H9ClO |
Canonical SMILES: | C1=CC=C(C=C1)OCCCl |
InChI: | InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2 |
InChI Key: | VQUYNUJARXBNPK-UHFFFAOYSA-N |
Boiling Point: | 220 ℃ |
Density: | 1.147 g/cm3 |
Appearance: | Pale yellow oil |
MDL: | MFCD00018946 |
LogP: | 2.30420 |
GHS Hazard Statement: | H315 (91.84%): 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 |
US-2021188827-A1 | Atm kinase inhibitors and compositions and methods of use thereof | 20191204 |
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WO-2020223229-A1 | Solid forms of a parp7 inhibitor | 20190429 |
WO-2020022412-A1 | Pyridone compound and agricultural and horticultural fungicide having this as active component | 20180725 |
PMID | Publication Date | Title | Journal |
17904372 | 20071215 | An expeditious synthesis of tamoxifen, a representative SERM (selective estrogen receptor modulator), via the three-component coupling reaction among aromatic aldehyde, cinnamyltrimethylsilane, and beta-chlorophenetole | Bioorganic & medicinal chemistry |
Complexity: | 79.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.0341926 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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