3-Fluoro-5-(trifluoromethyl)benzoyl chloride - CAS 171243-30-4
Catalog: |
BB012730 |
Product Name: |
3-Fluoro-5-(trifluoromethyl)benzoyl chloride |
CAS: |
171243-30-4 |
Synonyms: |
3-fluoro-5-(trifluoromethyl)benzoyl chloride |
IUPAC Name: | 3-fluoro-5-(trifluoromethyl)benzoyl chloride |
Description: | 3-Fluoro-5-(trifluoromethyl)benzoyl chloride (CAS# 171243-30-4) is a useful research chemical. |
Molecular Weight: | 226.56 |
Molecular Formula: | C8H3ClF4O |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)F)C(=O)Cl |
InChI: | InChI=1S/C8H3ClF4O/c9-7(14)4-1-5(8(11,12)13)3-6(10)2-4/h1-3H |
InChI Key: | BGAKSLBTFLVNAH-UHFFFAOYSA-N |
Boiling Point: | 119 ℃ |
Purity: | 95 % |
Density: | 1.48 g/cm3 |
MDL: | MFCD00061157 |
LogP: | 3.22350 |
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 |
CN-113185511-A | Pyrimidine compound and preparation method and application thereof | 20210524 |
WO-2021068179-A1 | Novel heteroaryl-substituted pyrazine derivatives as pesticides | 20191011 |
WO-2021069575-A1 | Heteroaryl-substituted pyrazine derivatives as pesticides | 20191011 |
JP-WO2018012416-A1 | Varnish for charge transport thin film formation | 20160714 |
WO-2018012416-A1 | Varnish for forming charge transporting thin film | 20160714 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.9808551 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.9808551 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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