Ethyl 2,6-Difluorobenzoate - CAS 19064-14-3
Catalog: |
BB014729 |
Product Name: |
Ethyl 2,6-Difluorobenzoate |
CAS: |
19064-14-3 |
Synonyms: |
2,6-difluorobenzoic acid ethyl ester; ethyl 2,6-difluorobenzoate |
IUPAC Name: | ethyl 2,6-difluorobenzoate |
Description: | Ethyl 2,6-Difluorobenzoate (CAS# 19064-14-3) is a useful research chemical. |
Molecular Weight: | 186.16 |
Molecular Formula: | C9H8F2O2 |
Canonical SMILES: | CCOC(=O)C1=C(C=CC=C1F)F |
InChI: | InChI=1S/C9H8F2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3 |
InChI Key: | FBQKPNPHWYPJFU-UHFFFAOYSA-N |
Boiling Point: | 228 °C at 760 mmHg |
Density: | 1.222 g/cm3 |
MDL: | MFCD06204338 |
LogP: | 2.14150 |
GHS Hazard Statement: | H315 (100%): 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 |
CN-110615765-B | (1H-pyrazole-4-formamido) ethyl benzoate compound and preparation method and application thereof | 20191025 |
CN-108218668-A | A kind of restoring method of 2,6 difluoro-benzoic acid ethyl esters | 20161221 |
US-2018080314-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
WO-2018057219-A1 | Method of allocating individual oil or water production contributions from multiple combined sources | 20160921 |
WO-2016184652-A1 | Methods for producing metalated organic compounds | 20150428 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04923582 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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