4-Chloro-3-nitrobenzoic acid
4-Chloro-3-nitrobenzoic acid structure
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Common Name | 4-Chloro-3-nitrobenzoic acid | ||
|---|---|---|---|---|
| CAS Number | 96-99-1 | Molecular Weight | 201.564 | |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 371.6±27.0 °C at 760 mmHg | |
| Molecular Formula | C7H4ClNO4 | Melting Point | 180-183 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 178.5±23.7 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Chloro-3-nitrobenzoic 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 | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 371.6±27.0 °C at 760 mmHg |
| Melting Point | 180-183 °C(lit.) |
| Molecular Formula | C7H4ClNO4 |
| Molecular Weight | 201.564 |
| Flash Point | 178.5±23.7 °C |
| Exact Mass | 200.982880 |
| PSA | 83.12000 |
| LogP | 2.37 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.628 |
| InChIKey | DFXQXFGFOLXAPO-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc(Cl)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 DATA
MUTATION 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 | S26-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | DG5425050 |
| HS Code | 2918990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:74-11-3
CAS#:38818-50-7
CAS#:84314-04-5
CAS#:939-80-0
CAS#:193606-98-3
CAS#:88-73-3
CAS#:66353-38-6
CAS#:57403-35-7
CAS#:16588-34-4
CAS#:635-22-3
CAS#:429659-01-8
CAS#:62754-14-7
CAS#:55302-98-2
CAS#:55912-20-4
CAS#:56107-02-9
CAS#:41263-74-5
CAS#:5129-23-7
CAS#:51207-31-9
CAS#:1746-01-6This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Elastic and bendable caffeine cocrystals: implications for the design of flexible organic materials.
Angew. Chem. Int. Ed. Engl. 51(41) , 10319-23, (2012)
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[Evaluation of the hepatotoxic activity of several chlor-nitro derivatives of benzoic acid].
Vopr. Med. Khim. 29(6) , 113-7, (1983) Hepatotoxic effects of 4-chloro-3-nitrobenzoic acid (x-NBA), 3-nitrobenzoic acid (NBA) and 4-chlorobenzoic acid (CBA) were studied at the doses corresponding to LD50, 1/10 LD50 and 1/50 LD50. The toxi... |
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Preparation and antibacterial activity of copper and cobalt complexes of 4-chloro-3-nitrobenzoate with a nitrogen donor ligand.
Chem. Pharm. Bull. 55(3) , 446-50, (2007) Copper and cobalt complexes with 4-chloro-3-nitrobenzoate (ClNBz) and the nitrogen ligands 1,3-diaminopropane (1,3-DAP) or o-phenylenediamine (o-PDA), were prepared and characterized. The complexes [C... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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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Name: Toxicity in po dosed Rattus norvegicus (rat)
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL3059484
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-Chloro-3-nitrobenzoic acid |
| MFCD00007079 |
| EINECS 202-550-9 |
| 3-Nitro-4-chlorobenzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 4-Chloro-3-nitrobenzoic Acid? |
| A: Molecular formula of 4-Chloro-3-nitrobenzoic Acid is C7H4ClNO4. |
| Q: What English synonyms does 4-Chloro-3-nitrobenzoic Acid have? |
| A: English synonyms of 4-Chloro-3-nitrobenzoic Acid: 4-Chloro-3-nitrobenzoic acid, MFCD00007079, EINECS 202-550-9, 3-Nitro-4-chlorobenzoic acid. |
| Q: What is the molecular weight of 4-Chloro-3-nitrobenzoic Acid? |
| A: Molecular weight of 4-Chloro-3-nitrobenzoic Acid is 201.564. |
| Q: What are the upstream materials of 4-Chloro-3-nitrobenzoic Acid? |
| A: Related upstream materials(CAS) of 4-Chloro-3-nitrobenzoic Acid: 74-11-3;38818-50-7;84314-04-5;939-80-0;193606-98-3;88-73-3;66353-38-6;57403-35-7;16588-34-4;635-22-3. |
| Q: What is the CAS number of 4-Chloro-3-nitrobenzoic Acid? |
| A: CAS number of 4-Chloro-3-nitrobenzoic Acid is 96-99-1. |
| Q: What is the English name of 4-Chloro-3-nitrobenzoic Acid? |
| A: The English name of 4-Chloro-3-nitrobenzoic Acid is 4-Chloro-3-nitrobenzoic Acid. |
| Q: What is the SMILES notation of 4-Chloro-3-nitrobenzoic Acid? |
| A: SMILES notation of 4-Chloro-3-nitrobenzoic Acid is O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1. |
| Q: What is the safety information for 4-Chloro-3-nitrobenzoic Acid? |
| A: Safety information for 4-Chloro-3-nitrobenzoic Acid: S26-S24/25. |
| Q: What is the melting point of 4-Chloro-3-nitrobenzoic Acid? |
| A: Melting point of 4-Chloro-3-nitrobenzoic Acid is 180-183 °C(lit.). |
| Q: What is the polar surface area (PSA) of 4-Chloro-3-nitrobenzoic Acid? |
| A: Polar surface area (PSA) of 4-Chloro-3-nitrobenzoic Acid is 83.12000. |
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. |
| Henan Tianfu Chemical Co., Ltd. |