3-Chloro-2-iodoaniline - CAS 70237-25-1
Catalog: |
BB034110 |
Product Name: |
3-Chloro-2-iodoaniline |
CAS: |
70237-25-1 |
Synonyms: |
3-chloro-2-iodoaniline; 3-chloro-2-iodoaniline |
IUPAC Name: | 3-chloro-2-iodoaniline |
Description: | 3-Chloro-2-iodoaniline (CAS# 70237-25-1) is used in the preparation of indolyl benzoic acid derivatives as NURR-1 activators for the treatment of Parkinson's disease. |
Molecular Weight: | 253.47 |
Molecular Formula: | C6H5ClIN |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)I)N |
InChI: | InChI=1S/C6H5ClIN/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2 |
InChI Key: | NNVUXUJYVIVRKU-UHFFFAOYSA-N |
Boiling Point: | 303.5 ℃ at 760 mmHg |
Density: | 2.015 g/cm3 |
LogP: | 3.10800 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021257557-A1 | Organic electroluminescent materials and devices | 20200203 |
WO-2021155320-A1 | Compounds and uses thereof | 20200129 |
WO-2021085582-A1 | Pyrazine derivative or salt thereof, and use of same | 20191031 |
WO-2019206237-A1 | 2-aminopyrimidine derivative, preparation method and use thereof | 20180426 |
AU-2019258813-A1 | 2-aminopyrimidine derivative, preparation method and use thereof | 20180426 |
Complexity: | 99.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.91552 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.91552 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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