4-Bromo-5-chloro-2-nitroaniline - CAS 827-33-8
Catalog: |
BB036893 |
Product Name: |
4-Bromo-5-chloro-2-nitroaniline |
CAS: |
827-33-8 |
Synonyms: |
4-bromo-5-chloro-2-nitroaniline; 4-bromo-5-chloro-2-nitroaniline |
IUPAC Name: | 4-bromo-5-chloro-2-nitroaniline |
Description: | 4-Bromo-5-chloro-2-nitroaniline (CAS# 827-33-8) is a useful research chemical. |
Molecular Weight: | 251.47 |
Molecular Formula: | C6H4BrClN2O2 |
Canonical SMILES: | C1=C(C(=CC(=C1Cl)Br)[N+](=O)[O-])N |
InChI: | InChI=1S/C6H4BrClN2O2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,9H2 |
InChI Key: | XXIFMWKGKJWFOH-UHFFFAOYSA-N |
Boiling Point: | 350.5 °C at 760 mmHg |
Density: | 1.909 g/cm3 |
LogP: | 3.69730 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021055591-A1 | Substituted benzimidazole carboxamides and their use in the treatment of medical disorders | 20190917 |
WO-2020225569-A1 | Phenyl-sulfamoyl.benzoyc acids as erap1 modulators | 20190509 |
US-2020172512-A1 | Chemical Compounds | 20181129 |
WO-2020109994-A1 | Pyrazoles as modulators of hemoglobin | 20181129 |
TW-202033513-A | Chemical compounds | 20181129 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.91447 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.91447 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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