2-Iodotoluene - CAS 615-37-2
Catalog: |
BB031167 |
Product Name: |
2-Iodotoluene |
CAS: |
615-37-2 |
Synonyms: |
1-iodo-2-methylbenzene |
IUPAC Name: | 1-iodo-2-methylbenzene |
Description: | 2-Iodotoluene (CAS# 615-37-2) is used as a reagent in the synthesis of aryl substituted quinones as β-secretase inhibitors. |
Molecular Weight: | 218.03 |
Molecular Formula: | C7H7I |
Canonical SMILES: | CC1=CC=CC=C1I |
InChI: | InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 |
InChI Key: | RINOYHWVBUKAQE-UHFFFAOYSA-N |
Boiling Point: | 211 ℃ |
Purity: | 98 % |
Density: | 1.713 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00001042 |
LogP: | 2.59960 |
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 |
WO-2021110136-A1 | Pharmaceutical combination and use thereof | 20191204 |
WO-2021113698-A1 | Masp-2 inhibitors and methods of use | 20191204 |
WO-2021105117-A1 | Substituted aminoquinolones as dgkalpha inhibitors for immune activation | 20191128 |
US-2021171548-A1 | Organometallic compound, organic light-emitting device including organometallic compound and electronic apparatus including the organic light-emitting device | 20191127 |
WO-2021104442-A1 | Method and compositions for predicting anti-cancer efficacy of compounds targeting apoptosis pathway | 20191127 |
PMID | Publication Date | Title | Journal |
21472936 | 20110509 | Mizoroki-heck-type reaction mediated by potassium tert-butoxide | Angewandte Chemie (International ed. in English) |
20078160 | 20100107 | Spin-orbit ab initio investigation of photolysis of o-, m-, and p-iodotoluene | The Journal of chemical physics |
15844901 | 20050428 | Structures, biological activities, and total syntheses of 13-hydroxy- and 13-acetoxy-14-nordehydrocacalohastine, novel modified furanoeremophilane-type sesquiterpenes from Trichilia cuneata | Organic letters |
12596270 | 20030401 | Characterization of the electrophile binding site and substrate binding mode of the 26-kDa glutathione S-transferase from Schistosoma japonicum | Proteins |
12010023 | 20020522 | Synthesis of seven-membered lactones via nickel- and zinc-catalyzed highly regio- and stereoselective cyclization of 2-iodobenzyl alcohols with propiolates | Journal of the American Chemical Society |
Complexity: | 70.8 |
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: | 2.9 |
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