4-Ethoxybenzoyl chloride - CAS 16331-46-7
Catalog: |
BB011988 |
Product Name: |
4-Ethoxybenzoyl chloride |
CAS: |
16331-46-7 |
Synonyms: |
4-ethoxybenzoyl chloride |
IUPAC Name: | 4-ethoxybenzoyl chloride |
Description: | 4-Ethoxybenzoyl chloride (CAS# 16331-46-7) is a useful research chemical. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | CCOC1=CC=C(C=C1)C(=O)Cl |
InChI: | InChI=1S/C9H9ClO2/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3 |
InChI Key: | XLWQUESMILVIPR-UHFFFAOYSA-N |
Boiling Point: | 142-145 ℃ (20 mmHg) |
Density: | 1.2 g/cm3 |
Appearance: | Colorless to yellow liquid or white to yellow solid |
MDL: | MFCD00000688 |
LogP: | 2.46430 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
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Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0291072 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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