Ammonium, bis(3-hydroxypropyl)dimethyl-, 2,4,6-trinitrobenzenesulfonate, dimethanesulfonate, (ester)

CAS 3506-06-7 MFCD03506067

化学结构图

3506-06-7
SMILES: C[N+](C)(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O.O=[N+]([O-])c1cc([N+](=O)[O-])c(S(=O)(=O)[O-])c([N+](=O)[O-])c1

化学属性

Mol. Weight610.64
Mol. FormulaC10H24NO6S2.C6H2N3O9S

别名和识别编码

Wiswesser Line NotationWS1&O3K1&1&3OSW1 &WSO&R BNW DNW FNW
Chemical NameAmmonium, bis(3-hydroxypropyl)dimethyl-, 2,4,6-trinitrobenzenesulfonate, dimethanesulfonate, (ester)
Synonym Bis(3-hydroxypropyl)dimethylammonium 2,4,6-trinitrobenzenesulfonate
CAS Number3506-06-7
InChIKeyBRHSXGAOTZRFSP-UHFFFAOYSA-M
PubChem Substance ID19018
InChIInChI=1S/C10H24NO6S2.C6H3N3O9S/c1-11(2,7-5-9-16-18(3,12)13)8-6-10-17-19(4,14)15;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h5-10H2,1-4H3;1-2H,(H,16,17,18)/q+1;/p-1
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安全信息

RTECSBO9084000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 38 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 12,954,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 38 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 11,1218,1963

系列性分类

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