3-Iodo-4-methylbenzyl alcohol - CAS 165803-89-4
Catalog: |
BB012217 |
Product Name: |
3-Iodo-4-methylbenzyl alcohol |
CAS: |
165803-89-4 |
Synonyms: |
(3-iodo-4-methylphenyl)methanol |
IUPAC Name: | (3-iodo-4-methylphenyl)methanol |
Description: | 3-Iodo-4-methylbenzyl alcohol (CAS# 165803-89-4) is a useful research chemical. |
Molecular Weight: | 248.06 |
Molecular Formula: | C8H9IO |
Canonical SMILES: | CC1=C(C=C(C=C1)CO)I |
InChI: | InChI=1S/C8H9IO/c1-6-2-3-7(5-10)4-8(6)9/h2-4,10H,5H2,1H3 |
InChI Key: | KOJVNDPZLOBKMK-UHFFFAOYSA-N |
Boiling Point: | 303.8 °C at 760 mmHg |
Density: | 1.751 g/cm3 |
MDL: | MFCD02683557 |
LogP: | 2.09190 |
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 |
JP-2019034932-A | Drugs containing an azole substituted pyridine compound as an active ingredient | 20170810 |
AU-2017220454-A1 | Azole-substituted pyridine compound | 20160215 |
CA-3012976-A1 | Azole-substituted pyridine compound | 20160215 |
EP-3418276-A1 | Azole-substituted pyridine compound | 20160215 |
JP-6311845-B2 | Pyridine compounds substituted with azoles | 20160215 |
PMID | Publication Date | Title | Journal |
15607920 | 20050301 | No-carrier-added synthesis of a 4-methyl-substituted meta-iodobenzylguanidine analogue | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.96981 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.96981 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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