2',3',4'-Trichloroacetophenone - CAS 13608-87-2
Catalog: |
BB008280 |
Product Name: |
2',3',4'-Trichloroacetophenone |
CAS: |
13608-87-2 |
Synonyms: |
1-(2,3,4-trichlorophenyl)ethanone |
IUPAC Name: | 1-(2,3,4-trichlorophenyl)ethanone |
Description: | 2',3',4'-Trichloroacetophenone (CAS# 13608-87-2) is a useful research chemical. |
Molecular Weight: | 223.48 |
Molecular Formula: | C8H5Cl3O |
Canonical SMILES: | CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl |
InChI: | InChI=1S/C8H5Cl3O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3 |
InChI Key: | BXJZZJYNVIDEKG-UHFFFAOYSA-N |
Boiling Point: | 144 ℃ |
Melting Point: | 59-64 ℃ |
Purity: | 95 % |
Density: | 1.425 g/cm3 |
Solubility: | Insoluble in water |
Appearance: | Dark gold-colored solid. |
MDL: | MFCD00000542 |
LogP: | 3.84940 |
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-106090824-A | A kind of photosensitive stealthy art lantern | 20160521 |
JP-6640210-B2 | Process for preparing 1- (3,5-dichloro-4-fluoro-phenyl) -2,2,2-trifluoro-ethanone | 20141014 |
JP-2015067577-A | Process for producing polycyclic phenol derivatives | 20130930 |
CA-2725740-A1 | 3-substituted propanamine compounds | 20080605 |
EP-2285787-A2 | 3-substituted propanamine compounds | 20080605 |
PMID | Publication Date | Title | Journal |
16398113 | 20051101 | Co-amendment with halogenated compounds enhances anaerobic microbial dechlorination of 1,2,3,4-tetrachlorodibenzo-P-dioxin and 1,2,3,4-tetrachlorodibenzofuran in estuarine sediments | Environmental toxicology and chemistry |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.940598 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.940598 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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