| Identification | More | [Name]
ETHYL 3,5-DINITROBENZOATE | [CAS]
618-71-3 | [Synonyms]
3,5-DINITROBENZOIC ACID ETHYL ESTER
ETHYL 3,5-DINITROBENZOATE
Benzoic acid, 3,5-dinitro-, ethyl ester
3 5-DINITROBENZOIC ACID ETHYLSTER | [EINECS(EC#)]
210-559-4 | [Molecular Formula]
C9H8N2O6 | [MDL Number]
MFCD00007232 | [Molecular Weight]
240.17 | [MOL File]
618-71-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
94-95 °C (lit.) | [Boiling point ]
382.88°C (rough estimate) | [density ]
1.2950 | [refractive index ]
1.5600 (estimate) | [storage temp. ]
Store at room temperature | [form ]
solid | [Appearance]
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 DataBase Reference]
618-71-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
29163990 | [Storage Class]
13 - Non Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Uses]
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. | [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 | [General Description]
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. |
|
| Company Name: |
Alfa Aesar
|
| Tel: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Tel: |
021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
|