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2,4,6-Trichlorophenyl isocyanate
SpectraBase Compound ID IXT4vDVO6g2
InChI InChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChIKey VDYWXVDWKFAUKE-UHFFFAOYSA-N
Mol Weight 222.46 g/mol
Molecular Formula C7H2Cl3NO
Exact Mass 220.920197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Wzvckh33mV
Name 2,4,6-Trichlorophenyl isocyanate
CAS Registry Number 2505-31-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2Cl3NO
InChI InChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChIKey VDYWXVDWKFAUKE-UHFFFAOYSA-N
Molecular Weight 222.458 g/mol
SMILES c1(Cl)cc(c(c(c1)Cl)N=C=O)Cl
SPLASH splash10-00di-6690000000-f33ca4acd8b3d9423443
Synonyms 1,3,5-trichloro-2-isocyanato-benzene 1,3,5-tris(chloranyl)-2-isocyanato-benzene
Wiley ID 1498088