5180-79-0
3-ISOCYANATOBENZOYL CHLORIDE
Name
3-ISOCYANATOBENZOYL CHLORIDE
Formula
C8 H4 Cl N O2
MolWeight
181.578
1Identification
【Name】
3-ISOCYANATOBENZOYL CHLORIDE
【CAS】
【MDL】
MFCD00013864
【English Synonyms】
【Formula】
C8 H4 Cl N O2
【MolWeight】
181.578
【Inchi】
InChI=1S/C8H4ClNO2/c9-8(12)6-2-1-3-7(4-6)10-5-11/h1-4H
【InChIKey】
InChIKey=WBLVOWAHPPPNLF-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)N=C=O)C(=O)Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
ALFA AESAR, AVOCADO, LANCASTER :3-ISOCYANATOBENZOYL CHLORIDE
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
3-ISOCYANATOBENZOYL CHLORIDE.cml
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