3,5-Dichloro-4-fluorobenzotrifluoride - CAS 77227-81-7
Catalog: |
BB035862 |
Product Name: |
3,5-Dichloro-4-fluorobenzotrifluoride |
CAS: |
77227-81-7 |
Synonyms: |
1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene |
IUPAC Name: | 1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene |
Description: | 3,5-Dichloro-4-fluorobenzotrifluoride (CAS# 77227-81-7) is a useful research chemical. |
Molecular Weight: | 232.99 |
Molecular Formula: | C7H2Cl2F4 |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)F)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H |
InChI Key: | BWQFQKZDLBJZAW-UHFFFAOYSA-N |
Boiling Point: | 166-168 °C |
Purity: | 98 % |
Density: | 1.55 g/cm3 |
Appearance: | Clear light yellow liquid |
MDL: | MFCD00068183 |
LogP: | 4.15130 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2014080385-A | Oxime ether compounds and their use for pest control | 20121016 |
DE-102009049419-A1 | Improved process for the preparation of 3-chloro-4,5-difluorobenzotrifluoride | 20091014 |
DE-102009049419-B4 | Improved process for the preparation of 3-chloro-4,5-difluorobenzotrifluoride | 20091014 |
AU-2008248751-A1 | Heterocyclic compounds and their use as pesticides | 20070502 |
CA-2683821-A1 | Heterocyclic compounds and their use as pesticides | 20070502 |
PMID | Publication Date | Title | Journal |
14535785 | 20031017 | Synthesis of a tritium-labeled, fipronil-based, highly potent, photoaffinity probe for the GABA receptor | The Journal of organic chemistry |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.9469681 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.9469681 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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