4-Chloro-5-nitro-1,2-benzenediamine - CAS 67073-39-6
Catalog: |
BB033182 |
Product Name: |
4-Chloro-5-nitro-1,2-benzenediamine |
CAS: |
67073-39-6 |
Synonyms: |
4-chloro-5-nitrobenzene-1,2-diamine; 4-chloro-5-nitrobenzene-1,2-diamine |
IUPAC Name: | 4-chloro-5-nitrobenzene-1,2-diamine |
Description: | 4-Chloro-5-nitro-1,2-benzenediamine (CAS# 67073-39-6) is used in the preparation of purinone compounds as DNA-PK inhibitors for treating cancer. |
Molecular Weight: | 187.58 |
Molecular Formula: | C6H6ClN3O2 |
Canonical SMILES: | C1=C(C(=CC(=C1[N+](=O)[O-])Cl)N)N |
InChI: | InChI=1S/C6H6ClN3O2/c7-3-1-4(8)5(9)2-6(3)10(11)12/h1-2H,8-9H2 |
InChI Key: | LOQLMWFVXRZASN-UHFFFAOYSA-N |
Boiling Point: | 458.9 °C at 760 mmHg |
Density: | 1.592 g/cm3 |
LogP: | 3.09820 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019238929-A1 | Purinone compounds and their use in treating cancer | 20180615 |
AU-2019287295-A1 | Purinone compounds and their use in treating cancer | 20180615 |
EP-3807278-A1 | Purinone compounds and their use in treating cancer | 20180615 |
KR-20210020944-A | Purinone compounds and their use in cancer treatment | 20180615 |
TW-202035410-A | Purinone compounds and their use in treating cancer | 20180615 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0148541 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0148541 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 97.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Amines and Anilines
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS