4,2-chloronitrotoluene
4,2-chloronitrotoluene structure
|
Common Name | 4,2-chloronitrotoluene | ||
|---|---|---|---|---|
| CAS Number | 89-59-8 | Molecular Weight | 171.581 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 238.5±20.0 °C at 760 mmHg | |
| Molecular Formula | C7H6ClNO2 | Melting Point | 35 °C | |
| MSDS | Chinese USA | Flash Point | 98.1±21.8 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Chloro-2-nitrotoluene |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 238.5±20.0 °C at 760 mmHg |
| Melting Point | 35 °C |
| Molecular Formula | C7H6ClNO2 |
| Molecular Weight | 171.581 |
| Flash Point | 98.1±21.8 °C |
| Exact Mass | 171.008713 |
| PSA | 45.82000 |
| LogP | 3.10 |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.570 |
| InChIKey | SQFLFRQWPBEDHM-UHFFFAOYSA-N |
| SMILES | Cc1ccc(Cl)cc1[N+](=O)[O-] |
| Water Solubility | 109 mg/L (20 ºC) |
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 |
|---|---|
| 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 | Xn:Harmful |
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S36-S36/37/39-S61 |
| RIDADR | UN 3457 6.1/PG 3 |
| WGK Germany | 2 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| 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#:106-43-4
CAS#:10565-16-9
CAS#:88-72-2
CAS#:75508-74-6
CAS#:89-61-2
CAS#:108-24-7
CAS#:108-88-3
CAS#:70343-09-8
CAS#:344749-24-2
CAS#:40794-04-5
CAS#:32943-25-2
CAS#:37777-71-2
CAS#:17422-33-2
CAS#:939-79-7
CAS#:78941-95-4
CAS#:27034-51-1
CAS#:95-79-4
CAS#:66941-45-5
CAS#:6280-88-2This 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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Synthesis of tricyclic indole-2-carboxylic [correction of caboxylic] acids as potent NMDA-glycine antagonists.
J. Org. Chem. 66(10) , 3474-83, (2001) The practical synthesis of a series of tricyclic indole-2-carboxylic acids, 7-chloro-3-arylaminocarbonylmethyl-1,3,4,5-tetrahydrobenz[cd]indole-2-carboxylic acids, as a new class of potent NMDA-glycin... |
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Raman spectroscopic and structural studies of indigo and its four 6,6'-dihalogeno analogues.
Analyst 129(7) , 613-618, (2004) The Raman and electron impact mass spectra of synthetic indigo and its four 6,6'-dihalogeno analogues are reported and discussed. The influence of varying the halogen on these Raman spectra is conside... |
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Monitoring of priority pesticides and other organic pollutants in river water from portugal by gas chromatography-mass spectrometry and liquid chromatography-atmospheric pressure chemical ionization mass spectrometry.
J. Chromatogr. A. 879(1) , 13-26, (2000) Gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-atmospheric pressure chemical ionization mass spectrometry (LC-APCI-MS) were optimized and applied for the trace-level determinat... |
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.
| 4,2-chloronitrotoluene |
| EINECS 201-921-2 |
| Toluene,4-chloro-2-nitro |
| 4-Chlor-2-nitrotoluol |
| MFCD00007215 |
| 4-Chloro-2-nitrotolu |
| 4-Chloro-2-nitrotoluene |
| 4-Chloro-2-Nitorotoluene |
| 2-Nitro-4-chlorotoluene |
| 4-chloro-nitrotoluene |
| 1-chloro-4-methyl-3-nitrobenzene |
| p-Chloro-o-nitrotoluene |
| o-Nitro-p-chlorotoluene |
| 4-Chloro-1-methyl-2-nitrobenzene |
| 4-chloro-2-nitro-toluene |
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-2-nitrotoluene? |
| A: Molecular formula of 4-Chloro-2-nitrotoluene is C7H6ClNO2. |
| Q: What is the polar surface area (PSA) of 4-Chloro-2-nitrotoluene? |
| A: Polar surface area (PSA) of 4-Chloro-2-nitrotoluene is 45.82000. |
| Q: What is the CAS number of 4-Chloro-2-nitrotoluene? |
| A: CAS number of 4-Chloro-2-nitrotoluene is 89-59-8. |
| Q: What is the LogP of 4-Chloro-2-nitrotoluene? |
| A: LogP of 4-Chloro-2-nitrotoluene is 3.10. |
| Q: What is the molecular weight of 4-Chloro-2-nitrotoluene? |
| A: Molecular weight of 4-Chloro-2-nitrotoluene is 171.581. |
| Q: What are the upstream materials of 4-Chloro-2-nitrotoluene? |
| A: Related upstream materials(CAS) of 4-Chloro-2-nitrotoluene: 106-43-4;10565-16-9;88-72-2;75508-74-6;89-61-2;108-24-7;108-88-3;70343-09-8;344749-24-2. |
| Q: What is the boiling point of 4-Chloro-2-nitrotoluene? |
| A: Boiling point of 4-Chloro-2-nitrotoluene is 238.5±20.0 °C at 760 mmHg. |
| Q: What are the downstream products of 4-Chloro-2-nitrotoluene? |
| A: Related downstream products(CAS) of 4-Chloro-2-nitrotoluene: 40794-04-5;32943-25-2;37777-71-2;17422-33-2;939-79-7;78941-95-4;27034-51-1;95-79-4;66941-45-5;6280-88-2. |
| Q: What is the SMILES notation of 4-Chloro-2-nitrotoluene? |
| A: SMILES notation of 4-Chloro-2-nitrotoluene is Cc1ccc(Cl)cc1[N+](=O)[O-]. |
| Q: What is the melting point of 4-Chloro-2-nitrotoluene? |
| A: Melting point of 4-Chloro-2-nitrotoluene is 35 °C. |
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. |