1-Benzyl-4-iodo-1H-pyrazole - CAS 50877-42-4
Catalog: |
BB027243 |
Product Name: |
1-Benzyl-4-iodo-1H-pyrazole |
CAS: |
50877-42-4 |
Synonyms: |
1-benzyl-4-iodopyrazole |
IUPAC Name: | 1-benzyl-4-iodopyrazole |
Description: | 1-Benzyl-4-iodo-1H-pyrazole (CAS# 50877-42-4) is a useful research chemical. |
Molecular Weight: | 284.10 |
Molecular Formula: | C10H9IN2 |
Canonical SMILES: | C1=CC=C(C=C1)CN2C=C(C=N2)I |
InChI: | InChI=1S/C10H9IN2/c11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-6,8H,7H2 |
InChI Key: | PVEYRBGIYMWFPB-UHFFFAOYSA-N |
Boiling Point: | 367.1 ℃ at 760 mmHg |
Melting Point: | 62-66 ℃ |
Purity: | 96.0 % (GC) |
Density: | 1.67 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04038745 |
LogP: | 2.53600 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111183138-A | Isochroman compounds and uses | 20170802 |
EP-3661929-A1 | Isochroman compounds and uses thereof | 20170802 |
KR-20200036008-A | Isocroman compounds and uses thereof | 20170802 |
US-2019038594-A1 | Compounds and uses thereof | 20170802 |
WO-2019028165-A1 | ISOCHROMAN COMPOUNDS AND USES THEREOF | 20170802 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.98105 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.98105 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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Related Functional Groups
Imidazoles
Pyrazoles
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