1,3-Dichloro-5-nitrobenzene
1,3-Dichloro-5-nitrobenzene structure
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Common Name | 1,3-Dichloro-5-nitrobenzene | ||
|---|---|---|---|---|
| CAS Number | 618-62-2 | Molecular Weight | 191.999 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 247.4±20.0 °C at 760 mmHg | |
| Molecular Formula | C6H3Cl2NO2 | Melting Point | 64-65 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 103.4±21.8 °C | |
| Symbol |
GHS07, GHS09 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3,5-Dichloronitrobenzene |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 247.4±20.0 °C at 760 mmHg |
| Melting Point | 64-65 °C(lit.) |
| Molecular Formula | C6H3Cl2NO2 |
| Molecular Weight | 191.999 |
| Flash Point | 103.4±21.8 °C |
| Exact Mass | 190.954086 |
| PSA | 45.82000 |
| LogP | 3.34 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.596 |
| InChIKey | RNABGKOKSBUFHW-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1cc(Cl)cc(Cl)c1 |
| Water Solubility | insoluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07, GHS09 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335-H400 |
| Precautionary Statements | P261-P273-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xn:Harmful; |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S36/37-S36/37/39 |
| RIDADR | UN3077 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 9 |
| HS Code | 2904909090 |
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 9 | |
|---|---|
| DownStream 10 | |
CAS#:99-30-9
CAS#:100-01-6
CAS#:2683-43-4
CAS#:541-42-4
CAS#:541-73-1
CAS#:13633-34-6
CAS#:69128-14-9
CAS#:626-43-7
CAS#:6975-29-7
CAS#:33979-03-2
CAS#:3238-55-9
CAS#:1093347-29-5
CAS#:50-84-0
CAS#:527-20-8
CAS#:2136-99-4
CAS#:19046-87-8
CAS#:28689-08-9
CAS#:2051-24-3
CAS#:3032-81-3This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2904909090 |
|---|---|
| Summary | HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Proton magnetic resonance spectroscopic method for determination of phenylbutazone and oxyphenbutazone in tablets.
J. Assoc. Off. Anal. Chem. 71(3) , 525-7, (1988) A simple, specific, and rapid 1H nuclear magnetic resonance spectroscopic method for the assay of phenylbutazone and oxyphenbutazone is described. Spectra are recorded in CDCI3 containing 1,3-dichloro... |
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Antifungal activity of substituted nitrobenzenes and anilines.
Appl. Microbiol. 22(3) , 438-40, (1971) Series of 1,3-dihalogeno-5-nitrobenzenes, 3- and 3,5-halogenoanilines, and 2,6-dihalogeno-4-nitroanilines were tested for fungitoxicity against Aspergillus niger, A. oryzae, Trichoderma viride, Myroth... |
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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| meta-Dichloronitrobenzene |
| Benzene,1,3-dichloro-5-nitro |
| EINECS 210-557-3 |
| m-Dichloronitrobenzene |
| 3 5-DICHLORONITROBENZENE (GC) |
| 1,3-dichloro-5-nitro-benzene |
| 3,5-chloronitrobenzene |
| 5-nitro-m-dichlorobenzene |
| 3,5-DICHLORO-1-NITROBENZENE |
| 1,3-Dichlor-5-nitro-benzol |
| MFCD00007211 |
| 1,3-Dichloro-5-nitrobenzene |
| 1,3-dichloro-5-nitro-benzen |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the melting point of 3,5-Dichloronitrobenzene? |
| A: Melting point of 3,5-Dichloronitrobenzene is 64-65 °C(lit.). |
| Q: What is the CAS number of 3,5-Dichloronitrobenzene? |
| A: CAS number of 3,5-Dichloronitrobenzene is 618-62-2. |
| Q: How is the water solubility of 3,5-Dichloronitrobenzene? |
| A: Water solubility of 3,5-Dichloronitrobenzene: insoluble. |
| Q: What is the LogP of 3,5-Dichloronitrobenzene? |
| A: LogP of 3,5-Dichloronitrobenzene is 3.34. |
| Q: What is the polar surface area (PSA) of 3,5-Dichloronitrobenzene? |
| A: Polar surface area (PSA) of 3,5-Dichloronitrobenzene is 45.82000. |
| Q: What is the boiling point of 3,5-Dichloronitrobenzene? |
| A: Boiling point of 3,5-Dichloronitrobenzene is 247.4±20.0 °C at 760 mmHg. |
| Q: What is the safety information for 3,5-Dichloronitrobenzene? |
| A: Safety information for 3,5-Dichloronitrobenzene: S26-S36/37-S36/37/39. |
| Q: What is the molecular weight of 3,5-Dichloronitrobenzene? |
| A: Molecular weight of 3,5-Dichloronitrobenzene is 191.999. |
| Q: What is the SMILES notation of 3,5-Dichloronitrobenzene? |
| A: SMILES notation of 3,5-Dichloronitrobenzene is O=[N+]([O-])c1cc(Cl)cc(Cl)c1. |
| Q: What are the downstream products of 3,5-Dichloronitrobenzene? |
| A: Related downstream products(CAS) of 3,5-Dichloronitrobenzene: 33979-03-2;3238-55-9;1093347-29-5;50-84-0;527-20-8;2136-99-4;19046-87-8;28689-08-9;2051-24-3;3032-81-3. |
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. |