4-Chloro-1,8-naphthalic anhydride - CAS 4053-08-1
Catalog: |
BB024556 |
Product Name: |
4-Chloro-1,8-naphthalic anhydride |
CAS: |
4053-08-1 |
Synonyms: |
8-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione |
IUPAC Name: | 8-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione |
Description: | 4-Chloro-1,8-naphthalic anhydride (CAS# 4053-08-1) is a useful research chemical. |
Molecular Weight: | 232.62 |
Molecular Formula: | C12H5ClO3 |
Canonical SMILES: | C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Cl |
InChI: | InChI=1S/C12H5ClO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H |
InChI Key: | UJEUBSWHCGDJQU-UHFFFAOYSA-N |
Boiling Point: | 450.9 °C at 760 mmHg |
Melting Point: | 207-210 °C |
Purity: | 95 % |
Density: | 1.565 g/cm3 |
Appearance: | Beige to brown powder |
Storage: | 2-8 °C |
MDL: | MFCD00006928 |
LogP: | 2.80380 |
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 |
12714074 | 20030501 | Molecular complexes of antipsychotic pharmaceutical parent molecule phenothiazine and unsaturated acid anhydrides | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
11876442 | 20010901 | Synthesis and evaluation of 2-chloroethylnitrosoureas of substituted naphthalimides as mixed-function anticancer compounds | Acta poloniae pharmaceutica |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.9927217 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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