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Methyl 2-({4-[(Nitrooxy)Methyl]Benzoyl}Sulfanyl)Benzoate
[CAS# 258278-64-7]

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Identification
Name Methyl 2-({4-[(Nitrooxy)Methyl]Benzoyl}Sulfanyl)Benzoate
Synonyms SE 175; S2189_SIGMA
Molecular Structure CAS#: 258278-64-7, Methyl 2-({4-[(Nitrooxy)Methyl]Benzoyl}Sulfanyl)Benzoate
Molecular Formula C16H13NO6S
Molecular Weight 347.34
CAS Registry Number 258278-64-7
SMILES O=C(Sc1ccccc1C(=O)OC)c2ccc(cc2)CO[N+]([O-])=O
InChI 1S/C16H13NO6S/c1-22-15(18)13-4-2-3-5-14(13)24-16(19)12-8-6-11(7-9-12)10-23-17(20)21/h2-9H,10H2,1H3
InChIKey JDIVRBDMTYQVOK-UHFFFAOYSA-N
Properties
Density 1.406g/cm3 (Cal.)
Boiling point 493.782°C at 760 mmHg (Cal.)
Flash point 252.431°C (Cal.)
Refractive index 1.628 (Cal.)
Safety Data
SDS Available
Market Analysis Reports
List of Reports Available for Methyl 2-({4-[(Nitrooxy)Methyl]Benzoyl}Sulfanyl)Benzoate
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