3,4-Dichlorobenzotrifluoride - CAS 328-84-7
Catalog: |
BB021458 |
Product Name: |
3,4-Dichlorobenzotrifluoride |
CAS: |
328-84-7 |
Synonyms: |
1,2-dichloro-4-(trifluoromethyl)benzene |
IUPAC Name: | 1,2-dichloro-4-(trifluoromethyl)benzene |
Description: | 3,4-Dichlorobenzotrifluoride (CAS# 328-84-7) is used in preparation of pyrazol amide derivatives. Also, used in preparation of 3,4-Dichlorotrifluorotoluene. |
Molecular Weight: | 215.00 |
Molecular Formula: | C7H3Cl2F3 |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)Cl)Cl |
InChI: | InChI=1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H |
InChI Key: | XILPLWOGHPSJBK-UHFFFAOYSA-N |
Boiling Point: | 173-174 °C |
Melting Point: | -13 °C |
Flash Point: | 65 °C |
Purity: | 99 % |
Density: | 1.478 g/cm3 |
Solubility: | Soluble in petroleum ether and acetonitrile. |
Appearance: | A colorless liquid. flash point below 141°f. irritating and narcotic in high concentrations. used as a solvent and for making other chemicals and dyes. density about 8.9 lb / gal. |
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: | MFCD00000555 |
LogP: | 4.01220 |
Vapor Pressure: | 2.36 [mmHg] |
GHS Hazard Statement: | H302 (14.01%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113426474-A | Boric acid modified iron-zirconium shape-selective catalyst and preparation method and application thereof | 20210527 |
CN-113457723-A | Ruthenium-zirconium composite alkylation catalyst and preparation method thereof | 20210527 |
CN-113045375-A | Method for preparing 2-pentylanthracene from diamyl anthracene through transalkylation | 20210322 |
CN-113024346-A | Separation method of mixture of anthracene and pentanization reaction product thereof | 20210319 |
CN-112973778-A | Iron-zirconium bimetal supported catalyst and preparation method and application thereof | 20210205 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.9563900 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.9563900 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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