30211-77-9
2-NITRO-5-THIOCYANATOBENZOIC ACID
Name
2-NITRO-5-THIOCYANATOBENZOIC ACID
Formula
C8 H4 N2 O4 S
MolWeight
224.196
1Identification
【Name】
2-NITRO-5-THIOCYANATOBENZOIC ACID
【CAS】
【MDL】
MFCD00007139
【English Synonyms】
【Formula】
C8 H4 N2 O4 S
【MolWeight】
224.196
【Inchi】
InChI=1S/C8H4N2O4S/c9-4-15-5-1-2-7(10(13)14)6(3-5)8(11)12/h1-3H,(H,11,12)
【InChIKey】
InChIKey=NQUNIMFHIWQQGJ-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1SC#N)C(=O)O)[N+](=O)[O-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
Acros Organics :2-NITRO-5-THIOCYANATOBENZOIC ACID
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
2-NITRO-5-THIOCYANATOBENZOIC ACID.cml
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