4-Chloro-3-iodobenzotrifluoride - CAS 672-57-1
Catalog: |
BB033232 |
Product Name: |
4-Chloro-3-iodobenzotrifluoride |
CAS: |
672-57-1 |
Synonyms: |
1-chloro-2-iodo-4-(trifluoromethyl)benzene |
IUPAC Name: | 1-chloro-2-iodo-4-(trifluoromethyl)benzene |
Description: | 4-Chloro-3-iodobenzotrifluoride (CAS# 672-57-1) is a useful research chemical. |
Molecular Weight: | 306.45 |
Molecular Formula: | C7H3ClF3I |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)I)Cl |
InChI: | InChI=1S/C7H3ClF3I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H |
InChI Key: | SSLWFPKNYZEOTH-UHFFFAOYSA-N |
Boiling Point: | 58-60 °C (0.5 mmHg) |
Purity: | 95 % |
Density: | 1.973 g/cm3 |
Appearance: | Clear, very light yellow liquid |
MDL: | MFCD00001037 |
LogP: | 3.96340 |
GHS Hazard Statement: | H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
TW-202003490-A | Therapeutic compounds and methods of use thereof | 20180522 |
WO-2019226687-A1 | Pyrididne-sulfonamide derivatives as sodium channel inhibitors | 20180522 |
CN-112368274-A | Pyridine-sulfonamide derivatives as sodium channel inhibitors | 20180522 |
EP-3797101-A1 | Pyrididne-sulfonamide derivatives as sodium channel inhibitors | 20180522 |
JP-2021524466-A | Pyridine-sulfonamide derivative as a sodium channel inhibitor | 20180522 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.89201 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.89201 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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