Product Name2,6-Dichlorophenyl isocyanate
CAS39920-37-1
Molecular FormulaC7H3Cl2NO
Molecular Weight188.01
InChIInChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChIKey HMVKMAMIRAVXAN-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC(Cl)=C1N=C=O
Mass
MS-NW-7548 2,6-dichlorophenyl isocyanate C7H3Cl2NO (Mass of molecular ion: 187)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
28.0 1.7 36.0 1.7 37.0 7.6 38.0 5.9 39.0 3.8 44.0 1.1 44.5 1.6 47.0 3.3 48.0 2.1 49.0 5.7 50.0 3.8 51.0 2.8 60.0 1.9 61.0 5.9 61.5 1.8 62.0 6.8 63.0 6.0 64.0 4.6 72.0 3.1 73.0 10.0 74.0 3.8 75.0 4.1 76.0 1.2 79.5 2.8 80.5 1.8 84.0 1.7 86.0 1.6 87.0 3.0 88.0 8.1 89.0 1.3 93.5 3.8 94.5 2.5 97.0 5.7 98.0 4.5 99.0 2.3 100.0 1.7 109.0 1.1 124.0 58.4 125.0 4.4 126.0 19.0 127.0 1.4 159.0 21.6 160.0 1.9 161.0 13.9 162.0 1.2 163.0 2.4 187.0 100.0 188.0 8.2 189.0 65.5 190.0 5.4 191.0 10.5
parameter in DMSO-d6
1H NMR | 300 MHz |
C7 H3 Cl2 N O | saturated in DMSO-d6 at 50C |
2,6-dichlorophenyl isocyanate |
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Parameter ppm Hz |
Hz ppm Int.
2247.53 7.492 650 2239.61 7.465 1000 2190.36 7.301 340 2182.77 7.276 308 2181.75 7.272 297 2174.16 7.247 201
in DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
2,6-Dichlorophenyl isocyanate(39920-37-1) Raman Atlas of Related Products