4-Chloro-1,3-diaminobenzene - CAS 5131-60-2
Catalog: |
BB027407 |
Product Name: |
4-Chloro-1,3-diaminobenzene |
CAS: |
5131-60-2 |
Synonyms: |
4-chlorobenzene-1,3-diamine |
IUPAC Name: | 4-chlorobenzene-1,3-diamine |
Description: | 4-Chloro-1,3-diaminobenzene (CAS# 5131-60-2) is a useful research chemical. |
Molecular Weight: | 142.59 |
Molecular Formula: | C6H7ClN2 |
Canonical SMILES: | C1=CC(=C(C=C1N)N)Cl |
InChI: | InChI=1S/C6H7ClN2/c7-5-2-1-4(8)3-6(5)9/h1-3H,8-9H2 |
InChI Key: | ZWUBBMDHSZDNTA-UHFFFAOYSA-N |
Boiling Point: | 298.6 °C at 760 mmHg |
Melting Point: | 196 °F |
Density: | 1.345 g/cm3 |
Appearance: | Gray powder or dark purple solid. |
MDL: | MFCD00025284 |
LogP: | 2.66680 |
Vapor Pressure: | 0.00206 [mmHg] |
GHS Hazard Statement: | H315 (97.87%): 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 |
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PMID | Publication Date | Title | Journal |
21580701 | 20100320 | (E)-2-[1-(3-Amino-4-chloro-phenyl-imino)eth-yl]-4-bromo-phenol | Acta crystallographica. Section E, Structure reports online |
21578010 | 20090930 | 6,6'-Dimeth-oxy-2,2'-[(E,E')-(4-chloro-m-phenyl-ene)bis-(nitrilo-methyl-idyne)]diphenol | Acta crystallographica. Section E, Structure reports online |
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: | 0.8 |
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