Ethyl 3-(Chloromethyl)benzoate - CAS 54589-54-7
Catalog: |
BB028726 |
Product Name: |
Ethyl 3-(Chloromethyl)benzoate |
CAS: |
54589-54-7 |
Synonyms: |
3-(chloromethyl)benzoic acid ethyl ester; ethyl 3-(chloromethyl)benzoate |
IUPAC Name: | ethyl 3-(chloromethyl)benzoate |
Description: | Ethyl 3-(Chloromethyl)benzoate (CAS# 54589-54-7) is a useful research chemical. |
Molecular Weight: | 198.65 |
Molecular Formula: | C10H11ClO2 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC=C1)CCl |
InChI: | InChI=1S/C10H11ClO2/c1-2-13-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2,7H2,1H3 |
InChI Key: | ZJNVMXXFCNKXLT-UHFFFAOYSA-N |
Boiling Point: | 169 °C / 25 mmHg |
Density: | 1.17 g/cm3 |
Appearance: | Light yellow clear liquid |
LogP: | 2.60210 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
KR-102085758-B1 | A novel compound for inhibiting histone acetyltransferase p300 and antifibrotic composition comprising the same | 20190805 |
WO-2021025448-A1 | Novel compound for inhibiting histone acetyltransferase p300 and antifibrotic composition comprising same | 20190805 |
KR-20210016856-A | A novel compound for inhibiting histone acetyltransferase p300 and antifibrotic composition comprising the same | 20190805 |
WO-2021025447-A1 | Novel compound for inhibiting histone acetyltransferase p300 and anti-fibrosis composition comprising same | 20190805 |
KR-102243465-B1 | A novel compound for inhibiting histone acetyltransferase p300 and antifibrotic composition comprising the same | 20190805 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0447573 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0447573 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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