2-Chloro-5-nitrobenzaldehyde - CAS 6361-21-3
Catalog: |
BB032212 |
Product Name: |
2-Chloro-5-nitrobenzaldehyde |
CAS: |
6361-21-3 |
Synonyms: |
2-chloro-5-nitrobenzaldehyde |
IUPAC Name: | 2-chloro-5-nitrobenzaldehyde |
Description: | 2-Chloro-5-nitrobenzaldehyde (CAS# 6361-21-3) is a useful research chemical. |
Molecular Weight: | 185.56 |
Molecular Formula: | C7H4ClNO3 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])C=O)Cl |
InChI: | InChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H |
InChI Key: | VFVHWCKUHAEDMY-UHFFFAOYSA-N |
Boiling Point: | 290.3 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.485 g/cm3 |
Appearance: | Light yellow to beige-yellow crystalline powder |
MDL: | MFCD00007293 |
LogP: | 2.58390 |
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 |
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PMID | Publication Date | Title | Journal |
21837031 | 20110701 | (E)-N'-(2-Chloro-5-nitro-benzyl-idene)-3-meth-oxy-benzohydrazide monohydrate | Acta crystallographica. Section E, Structure reports online |
21837044 | 20110701 | 3-Chloro-N'-(2-chloro-5-nitro-benzyl-idene)-benzohydrazide | Acta crystallographica. Section E, Structure reports online |
21587521 | 20100911 | 2-Chloro-5-nitro-benzaldehyde thio-semicarbazone | Acta crystallographica. Section E, Structure reports online |
21579236 | 20100428 | 4-[6,8-Dibromo-2-(2-chloro-5-nitro-phen-yl)-1,2,3,4-tetra-hydro-quinazolin-3-yl]cyclo-hexa-nol | Acta crystallographica. Section E, Structure reports online |
21582275 | 20090227 | N'-(2-Chloro-5-nitro-benzyl-idene)isonicotinohydrazide | Acta crystallographica. Section E, Structure reports online |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.9879707 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.9879707 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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