23695-15-0
1-ISOCYANATO-2-METHYL-3-NITROBENZENE
Name
1-ISOCYANATO-2-METHYL-3-NITROBENZENE
Formula
C8 H6 N2 O3
MolWeight
178.146
1Identification
【Name】
1-ISOCYANATO-2-METHYL-3-NITROBENZENE
【CAS】
【MDL】
MFCD00037046
【English Synonyms】
【Formula】
C8 H6 N2 O3
【MolWeight】
178.146
【Inchi】
InChI=1S/C8H6N2O3/c1-6-7(9-5-11)3-2-4-8(6)10(12)13/h2-4H,1H3
【InChIKey】
InChIKey=NSEABHDWHUBNCA-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1[N+](=O)[O-])N=C=O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
ALFA AESAR, AVOCADO, LANCASTER :1-ISOCYANATO-2-METHYL-3-NITROBENZENE
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
1-ISOCYANATO-2-METHYL-3-NITROBENZENE.cml
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