Benzoic acid,3,5-dinitro-, ethyl ester

Modify Date: 2025-08-26 19:16:02

Benzoic acid,3,5-dinitro-, ethyl ester Structure
Benzoic acid,3,5-dinitro-, ethyl ester structure
Common Name Benzoic acid,3,5-dinitro-, ethyl ester
CAS Number 618-71-3 Molecular Weight 240.17000
Density 1.433g/cm3 Boiling Point 367.1ºC at 760 mmHg
Molecular Formula C9H8N2O6 Melting Point 94-95 °C(lit.)
MSDS Chinese USA Flash Point 171.8ºC
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name ethyl 3,5-dinitrobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.433g/cm3
Boiling Point 367.1ºC at 760 mmHg
Melting Point 94-95 °C(lit.)
Molecular Formula C9H8N2O6
Molecular Weight 240.17000
Flash Point 171.8ºC
Exact Mass 240.03800
PSA 117.94000
LogP 2.72610
Index of Refraction 1.58
InChIKey IBQREHJPMPCXQA-UHFFFAOYSA-N
SMILES CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn
Risk Phrases 36/37/38
Safety Phrases S26-S36/37/39
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 2916399090

 Synthetic Route

 Customs

HS Code 2916399090
Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles2

More Articles
The mechanism of action of ethanolamine deaminase. I. Studies with isotopic hydrogen and oxygen.

J. Biol. Chem. 244(2) , 449-56, (1969)

Aggregates of hexakis (n-hexyloxy) triphenylene self-assemble in dodecane solution: intercalation of (-)-menthol 3, 5-dinitrobenzoate induces formation of helical structures. Gallivan JP and Schuster GB.

J. Org. Chem. 60(8) , 2423-29, (1995)

 Benzoic acid,3,5-dinitro-, ethyl esterBioassay

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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

3,5-dinitro-benzoic acid ethyl ester
Benzoic acid,3,5-dinitro-,ethyl ester
EINECS 210-559-4
3,5-Dinitro-benzoesaeure-aethylester
MFCD00007232
Aethyl-(3.5-dinitro-benzoat)
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