Product NamePENTACHLOROBENZENE
CAS608-93-5
Molecular FormulaC6HCl5
Molecular Weight250.34
InChIInChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
InChIKey CEOCDNVZRAIOQZ-UHFFFAOYSA-N
SmilesC1(Cl)=CC(Cl)=C(Cl)C(Cl)=C1Cl
Mass
MS-NW-8808 pentachlorobenzene C6HCl5 (Mass of molecular ion: 248)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
36.0 1.8 37.0 2.3 47.0 1.4 49.0 1.0 60.0 1.2 61.0 1.6 71.0 2.8 71.5 1.1 72.0 2.7 73.0 7.0 83.0 1.1 84.0 3.0 89.0 2.7 90.0 2.5 95.0 1.3 96.0 1.4 106.0 1.5 107.0 4.1 108.0 14.7 109.0 2.2 110.0 4.6 118.0 4.2 120.0 2.7 124.0 4.0 125.0 6.2 126.0 4.1 127.0 1.2 142.0 3.9 143.0 8.1 144.0 3.0 145.0 5.2 177.0 4.4 178.0 8.3 179.0 4.9 180.0 8.1 181.0 1.9 182.0 2.6 213.0 15.7 214.0 2.3 215.0 20.2 216.0 2.2 217.0 9.7 219.0 2.1 248.0 62.8 249.0 4.1 250.0 100.0 251.0 6.6 252.0 64.2 253.0 4.2 254.0 20.6 255.0 1.3 256.0 3.4
parameter in CDCl3
1H NMR | 300 MHz |
C6 H Cl5 | 0.048 g : 0.5 ml CDCl3 |
pentachlorobenzene |
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Parameter ppm Hz |
Hz ppm Int.
2259.90 7.533 1000
in CDCl3
KBr disc
nujol mull
4880 A,100M,powder
PENTACHLOROBENZENE(608-93-5) IR2 Atlas of Related Products