Ethyl 4-Chlorobenzoate - CAS 7335-27-5
Catalog: |
BB034825 |
Product Name: |
Ethyl 4-Chlorobenzoate |
CAS: |
7335-27-5 |
Synonyms: |
4-chlorobenzoic acid ethyl ester; ethyl 4-chlorobenzoate |
IUPAC Name: | ethyl 4-chlorobenzoate |
Description: | Ethyl 4-Chlorobenzoate (CAS# 7335-27-5) is a useful research chemical for organic synthesis and other chemical processes.Is used in preparation of Orthocarboxylates via reaction of Carboxylates with Ethers. |
Molecular Weight: | 184.62 |
Molecular Formula: | C9H9ClO2 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C9H9ClO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 |
InChI Key: | RWBYCMPOFNRISR-UHFFFAOYSA-N |
Boiling Point: | 237-239 °C |
Density: | 1.187 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00013645 |
LogP: | 2.51670 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210112888-A | Attractants of Yellow Tea Trips | 20200306 |
CN-112300020-A | Method for synthesizing amide derivative by vanadium catalysis | 20191128 |
WO-2021099134-A1 | Process to prepare a procatalyst for polymerization of olefins | 20191122 |
CN-110803977-A | Method for preparing monofluoroalkyl substituted aromatic compound through reduction coupling | 20191111 |
CN-110746866-A | Powder coating with high-temperature yellowing resistance | 20191104 |
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: | 3.5 |
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