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??3,5-?????????

??3,5-?????????
??3,5-????????? ??? ???
?? ??:
618-71-3
???:
??3,5-?????????
???(??):
??3,5-?????????
???:
ETHYL 3,5-DINITROBENZOATE
???(??):
Vitamin D2 Impurity 6;ETHYL 3,5-DINITROBENZOATE;3 5-DINITROBENZOIC ACID ETHYLSTER;3,5-DINITROBENZOIC ACID ETHYL ESTER;Benzoic acid, 3,5-dinitro-, ethyl ester
CBNumber:
CB7711224
???:
C9H8N2O6
??? ??:
240.17
MOL ??:
618-71-3.mol

??3,5-????????? ??

???
94-95 °C (lit.)
?? ?
382.88°C (rough estimate)
??
1.2950
???
1.5600 (estimate)
?? ??
Store at room temperature
??? ??
solid
??
White to off-white Solid
BRN
1995473
InChI
1S/C9H8N2O6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5H,2H2,1H3
InChIKey
IBQREHJPMPCXQA-UHFFFAOYSA-N
SMILES
CCOC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
CAS ??????
618-71-3(CAS DataBase Reference)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn
?? ???? ?? 36/37/38-22
????? 26-36/37/39-24/25
WGK ?? 3
HS ?? 29163990
???? ??? 13 - Non Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? P264, P270, P301+P312, P330, P501
??????:
P262 ?, ??, ??? ?? ??? ???.
NFPA 704
1
0 0

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Synthesis Reference(s)

Tetrahedron Letters, 37, p. 6375, 1996 DOI: 10.1016/0040-4039(96)01351-2
Journal of the American Chemical Society, 112, p. 9336, 1990 DOI: 10.1021/ja00181a040
Tetrahedron, 62, p. 1309, 2006 DOI: 10.1016/j.tet.2005.09.147

?? ??

Ethyl 3,5-dinitrobenzoate forms charge transfer spectra with n-alkane solutions containing hexakis(n-hexyloxy)triphenylene. Nuclear magnetic resonance spectra of ethyl 3,5-dinitrobenzoate was studied.

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