4-amino-5-bromo-2-chloropyrimidine - CAS 205672-25-9
Catalog: |
BB016065 |
Product Name: |
4-amino-5-bromo-2-chloropyrimidine |
CAS: |
205672-25-9 |
Synonyms: |
5-bromo-2-chloro-4-pyrimidinamine; 5-bromo-2-chloropyrimidin-4-amine |
IUPAC Name: | 5-bromo-2-chloropyrimidin-4-amine |
Description: | 4-amino-5-bromo-2-chloropyrimidine (CAS# 205672-25-9) is a useful research chemical, an intermediate in the synthesis of pyrimidine Schiff bases with antibacterial, antioxidant, anti-inflammatory and antifungal properties. |
Molecular Weight: | 208.44 |
Molecular Formula: | C4H3BrClN3 |
Canonical SMILES: | C1=C(C(=NC(=N1)Cl)N)Br |
InChI: | InChI=1S/C4H3BrClN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9) |
InChI Key: | QOWALNIZDHZTSM-UHFFFAOYSA-N |
Boiling Point: | 369.8 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.96 g/cm3 |
MDL: | MFCD07782040 |
LogP: | 2.05590 |
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 |
CN-111362939-A | Preparation method of palbociclib parent nucleus structure compound | 20200426 |
CN-111362939-B | Preparation method of palbociclib parent nucleus structure compound | 20200426 |
CN-112409385-A | Azaaryl compounds and uses thereof | 20190822 |
WO-2021032004-A1 | Azaheteroaryl compound and application thereof | 20190822 |
WO-2021032004-A9 | Azaheteroaryl compound and application thereof | 20190822 |
Complexity: | 102 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.91989 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.91989 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Amines and Anilines
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