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 | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,4-Dinitrobenzoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| 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 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~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 |
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~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 |
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~%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Dobrodei; El'tsov Russian Journal of General Chemistry, 1998 , vol. 68, # 4 p. 620 - 629 |
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~%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Langley Organic Syntheses, 1955 , vol. Coll. Vol. III, p. 334,336 |
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~%
3,4-Dinitrobenz... CAS#:528-45-0 |
| Literature: Schmidt,J.; Bauer Chemische Berichte, 1905 , vol. 38, p. 3760 |
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~%
3,4-Dinitrobenz... CAS#:528-45-0
Learn More
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| Literature: Claus; Halberstadt Chemische Berichte, 1880 , vol. 13, p. 815 |
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~%
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 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 10 | |
CAS#:38818-50-7
CAS#:57070-71-0
CAS#:36692-49-6
CAS#:41263-74-5
CAS#:39070-63-8
CAS#:24376-18-9
CAS#:62754-22-7
CAS#:89-41-8
CAS#:79544-31-3
CAS#:26586-26-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3,4-Dinitrobenzoic acid |
| 3,4-Di-nitro-benzoic acid |
| EINECS 208-433-9 |
| MFCD00007255 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 3,4-Dinitrobenzoic acid? |
| A: Related downstream products(CAS) of 3,4-Dinitrobenzoic acid: 38818-50-7;57070-71-0;36692-49-6;41263-74-5;39070-63-8;24376-18-9;62754-22-7;89-41-8;79544-31-3;26586-26-5. |
| Q: What is the SMILES notation of 3,4-Dinitrobenzoic acid? |
| A: SMILES notation of 3,4-Dinitrobenzoic acid is O=C(O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1. |
| Q: What is the molecular weight of 3,4-Dinitrobenzoic acid? |
| A: Molecular weight of 3,4-Dinitrobenzoic acid is 212.117. |
| Q: What is the melting point of 3,4-Dinitrobenzoic acid? |
| A: Melting point of 3,4-Dinitrobenzoic acid is 163-166 °C. |
| Q: What is the InChIKey of 3,4-Dinitrobenzoic acid? |
| A: InChIKey of 3,4-Dinitrobenzoic acid is OMVRRHJJQILIJX-UHFFFAOYSA-N. |
| Q: What is the LogP of 3,4-Dinitrobenzoic acid? |
| A: LogP of 3,4-Dinitrobenzoic acid is 1.98. |
| Q: What is the boiling point of 3,4-Dinitrobenzoic acid? |
| A: Boiling point of 3,4-Dinitrobenzoic acid is 459.0±35.0 °C at 760 mmHg. |
| Q: What are the upstream materials of 3,4-Dinitrobenzoic acid? |
| A: Related upstream materials(CAS) of 3,4-Dinitrobenzoic acid: 610-39-9;35998-98-2;6971-33-1;89-62-3;14070-37-2;62-23-7;99-08-1. |
| Q: What is the English name of 3,4-Dinitrobenzoic acid? |
| A: The English name of 3,4-Dinitrobenzoic acid is 3,4-Dinitrobenzoic acid. |
| Q: What English synonyms does 3,4-Dinitrobenzoic acid have? |
| A: English synonyms of 3,4-Dinitrobenzoic acid: 3,4-Dinitrobenzoic acid, 3,4-Di-nitro-benzoic acid, EINECS 208-433-9, MFCD00007255. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |