4-Iodotoluene - CAS 624-31-7
Catalog: |
BB031588 |
Product Name: |
4-Iodotoluene |
CAS: |
624-31-7 |
Synonyms: |
1-iodo-4-methylbenzene |
IUPAC Name: | 1-iodo-4-methylbenzene |
Description: | 4-Iodotoluene (CAS# 624-31-7) is a useful research chemical. |
Molecular Weight: | 218.03 |
Molecular Formula: | C7H7I |
Canonical SMILES: | CC1=CC=C(C=C1)I |
InChI: | InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 |
InChI Key: | UDHAWRUAECEBHC-UHFFFAOYSA-N |
Boiling Point: | 211.5 ℃ |
Purity: | 98 % |
Density: | 1.67 g/cm3 |
Appearance: | White to light yellow crystalline low melting mass |
MDL: | MFCD00001059 |
LogP: | 2.59960 |
GHS Hazard Statement: | H302 (36.84%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127333-A1 | Trpml modulators | 20191219 |
WO-2021127367-A2 | METHODS FOR INHIBITION OF ALPHA-SYNUCLEIN mRNA USING SMALL MOLECULES | 20191219 |
WO-2021123294-A1 | Oga inhibitor compounds | 20191218 |
WO-2021117723-A1 | Block copolymer, resin composition, stretch conductor, electronic device, and pressure-sensitive adhesive film | 20191213 |
WO-2021116121-A1 | Structural pressure-sensitive adhesive | 20191209 |
PMID | Publication Date | Title | Journal |
22763684 | 20120701 | Two [Cu2I2]-based coordination polymers of 1,3-bis(pyridin-4-yl)propane | Acta crystallographica. Section C, Crystal structure communications |
22583059 | 20120604 | (Ni,Mg)3Si2O5(OH)4 solid-solution nanotubes supported by sub-0.06 wt % palladium as a robust high-efficiency catalyst for Suzuki-Miyaura cross-coupling reactions | Inorganic chemistry |
21472936 | 20110509 | Mizoroki-heck-type reaction mediated by potassium tert-butoxide | Angewandte Chemie (International ed. in English) |
21271618 | 20110225 | Copper(I)-anilide complex [Na(phen)3][Cu(NPh2)2]: an intermediate in the copper-catalyzed N-arylation of N-phenylaniline | Chemistry (Weinheim an der Bergstrasse, Germany) |
20078160 | 20100107 | Spin-orbit ab initio investigation of photolysis of o-, m-, and p-iodotoluene | The Journal of chemical physics |
Complexity: | 62.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.95925 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.95925 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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