3,5-Bis(trifluoromethyl)benzoyl chloride - CAS 785-56-8
Catalog: |
BB036188 |
Product Name: |
3,5-Bis(trifluoromethyl)benzoyl chloride |
CAS: |
785-56-8 |
Synonyms: |
3,5-bis(trifluoromethyl)benzoyl chloride |
IUPAC Name: | 3,5-bis(trifluoromethyl)benzoyl chloride |
Description: | 3,5-Bis(trifluoromethyl)benzoyl chloride (CAS# 785-56-8) is a useful research chemical. |
Molecular Weight: | 276.56 |
Molecular Formula: | C9H3ClF6O |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl |
InChI: | InChI=1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H |
InChI Key: | WAKMMQSMEDJRRI-UHFFFAOYSA-N |
Boiling Point: | 65-67 °C (12 mmHg) |
Melting Point: | 41760 °C |
Purity: | 95 % |
Density: | 1.526 g/cm3 |
Appearance: | Colorless transparent liquid |
Storage: | Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00000387 |
LogP: | 4.10320 |
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-2021211123-A1 | Adjuvant-antibiotic combination against gram-negative bacteria | 20200416 |
CN-111253360-A | Preparation method of cyclic carbonate | 20200331 |
JP-2021095364-A | Azinylazole compound and pest control agent (1) | 20191217 |
WO-2021104199-A1 | Aminoxy acid-based anti-cancer stem cell compounds and methods thereof | 20191125 |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.9776614 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.9776614 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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