3-Chloro-1,2-benzenediamine - CAS 21745-41-5
Catalog: |
BB017130 |
Product Name: |
3-Chloro-1,2-benzenediamine |
CAS: |
21745-41-5 |
Synonyms: |
3-chlorobenzene-1,2-diamine; 3-chlorobenzene-1,2-diamine |
IUPAC Name: | 3-chlorobenzene-1,2-diamine |
Description: | 3-Chloro-1,2-benzenediamine (CAS# 21745-41-5) is a useful research chemical. |
Molecular Weight: | 142.59 |
Molecular Formula: | C6H7ClN2 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)N)N |
InChI: | InChI=1S/C6H7ClN2/c7-4-2-1-3-5(8)6(4)9/h1-3H,8-9H2 |
InChI Key: | SAIXZIVDXDTYCH-UHFFFAOYSA-N |
MDL: | MFCD09881742 |
LogP: | 2.66680 |
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, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021085000-A | Polyol, two-component polyurethane composition, reaction injection molded product and reaction injection molding method | 20191129 |
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PMID | Publication Date | Title | Journal |
19527033 | 20090723 | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening | Journal of medicinal chemistry |
18727547 | 20080701 | Determination of copper in water and plant samples by flame atomic absorption spectrometry after preconcentration on octadecyl silica membrane disks modified with a recently synthesized Schiff's base | Journal of AOAC International |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.0297759 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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