3,4-Dinitrobenzoic acid
3,4-Dinitrobenzoic acid structure
|
Common Name | 3,4-Dinitrobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 528-45-0 | Molecular Weight | 212.117 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 459.0±35.0 °C at 760 mmHg | |
| Molecular Formula | C7H4N2O6 | Melting Point | 163-166 °C | |
| MSDS | Chinese USA | Flash Point | 208.4±14.4 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
| Name | 3,4-Dinitrobenzoic acid |
|---|---|
| Synonym | More Synonyms |
| Density | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 459.0±35.0 °C at 760 mmHg |
| Melting Point | 163-166 °C |
| Molecular Formula | C7H4N2O6 |
| Molecular Weight | 212.117 |
| Flash Point | 208.4±14.4 °C |
| Exact Mass | 212.006943 |
| PSA | 128.94000 |
| LogP | 1.98 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.658 |
| InChIKey | OMVRRHJJQILIJX-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
|
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S36/37/39-S26-S37/39 |
| RIDADR | NONH for all modes of transport |
| RTECS | DG9140650 |
| HS Code | 2916399090 |
|
~97%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Andreev; Potapenko; Pogorelova; Krasil'nikov; Band Russian Journal of Applied Chemistry, 2008 , vol. 81, # 3 p. 503 - 505 |
|
~94%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Shojaei, Abdollah Fallah; Rezvani, Mohamad Ali; Heravi, Majid Journal of the Serbian Chemical Society, 2011 , vol. 76, # 11 p. 1513 - 1522 |
|
~%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Dobrodei; El'tsov Russian Journal of General Chemistry, 1998 , vol. 68, # 4 p. 620 - 629 |
|
~%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Langley Organic Syntheses, 1955 , vol. Coll. Vol. III, p. 334,336 |
|
~%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Schmidt,J.; Bauer Chemische Berichte, 1905 , vol. 38, p. 3760 |
|
~%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Claus; Halberstadt Chemische Berichte, 1880 , vol. 13, p. 815 |
|
~%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Haeussermann; Grell Chemische Berichte, 1894 , vol. 27, p. 2209 Full Text Show Details Sirks Recueil des Travaux Chimiques des Pays-Bas, 1908 , vol. 27, p. 209 |
| Precursor 7 | |
|---|---|
| DownStream 10 | |
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CAS#:26586-26-5| 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% |
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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|
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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|
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: N/A
External Id: HMS1149-MLP
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|
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
|
| 3,4-Dinitrobenzoic acid |
| 3,4-Di-nitro-benzoic acid |
| EINECS 208-433-9 |
| MFCD00007255 |