4-amino-3,5-dinitrobenzotrifluoride
4-amino-3,5-dinitrobenzotrifluoride structure
|
Common Name | 4-amino-3,5-dinitrobenzotrifluoride | ||
|---|---|---|---|---|
| CAS Number | 445-66-9 | Molecular Weight | 251.12000 | |
| Density | 1.686 g/cm3 | Boiling Point | 313.1ºC at 760 mmHg | |
| Molecular Formula | C7H4F3N3O4 | Melting Point | 144-149 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 143.1ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,6-Dinitro-4-(trifluoromethyl)aniline |
|---|---|
| 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 | 1.686 g/cm3 |
|---|---|
| Boiling Point | 313.1ºC at 760 mmHg |
| Melting Point | 144-149 °C(lit.) |
| Molecular Formula | C7H4F3N3O4 |
| Molecular Weight | 251.12000 |
| Flash Point | 143.1ºC |
| Exact Mass | 251.01500 |
| PSA | 117.66000 |
| LogP | 3.73160 |
| InChIKey | VACNDKUQVLNNLD-UHFFFAOYSA-N |
| SMILES | Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] |
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 | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2921420090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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4-amino-3,5-din... CAS#:445-66-9 |
| Literature: Eli Lilly and Company Patent: US3980784 A1, 1976 ; |
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4-amino-3,5-din... CAS#:445-66-9
Learn More
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| Literature: Gallardo, Iluminada; Guirado, Gonzalo; Marquet, Jordi European Journal of Inorganic Chemistry, 2002 , # 2 p. 251 - 259 |
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4-amino-3,5-din... CAS#:445-66-9 |
| Literature: Malichenko,B.F. et al. Sov. Prog. Chem. (Engl. Transl.), 1967 , vol. 33, # 12 p. 1273 - 1275,39 - 41 |
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4-amino-3,5-din... CAS#:445-66-9
Detail
Learn More
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| Literature: Mabury, Scott A.; Crosby, Donald G. Journal of Agricultural and Food Chemistry, 1995 , vol. 43, # 7 p. 1845 - 1848 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 2 | |
CAS#:53309-50-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921420090 |
|---|---|
| Summary | HS:2921420090 aniline derivatives and their salts 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: 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.
| 2,6-dinitro-4-(trifluoromethyl)aniline |
| 2,6-DINITRO-4-TRIFLUOROMETHYLANILINE |
| MFCD00024260 |
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 2,6-Dinitro-4-(trifluoromethyl)aniline? |
| A: Melting point of 2,6-Dinitro-4-(trifluoromethyl)aniline is 144-149 °C(lit.). |
| Q: What are the upstream materials of 2,6-Dinitro-4-(trifluoromethyl)aniline? |
| A: Related upstream materials(CAS) of 2,6-Dinitro-4-(trifluoromethyl)aniline: 393-75-9;401-99-0;109-73-9;1582-09-8. |
| Q: What are the downstream products of 2,6-Dinitro-4-(trifluoromethyl)aniline? |
| A: Related downstream products(CAS) of 2,6-Dinitro-4-(trifluoromethyl)aniline: 2078-01-5;53309-50-5. |
| Q: What is the SMILES notation of 2,6-Dinitro-4-(trifluoromethyl)aniline? |
| A: SMILES notation of 2,6-Dinitro-4-(trifluoromethyl)aniline is Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]. |
| Q: What is the boiling point of 2,6-Dinitro-4-(trifluoromethyl)aniline? |
| A: Boiling point of 2,6-Dinitro-4-(trifluoromethyl)aniline is 313.1ºC at 760 mmHg. |
| Q: What is the English name of 2,6-Dinitro-4-(trifluoromethyl)aniline? |
| A: The English name of 2,6-Dinitro-4-(trifluoromethyl)aniline is 2,6-Dinitro-4-(trifluoromethyl)aniline. |
| Q: What English synonyms does 2,6-Dinitro-4-(trifluoromethyl)aniline have? |
| A: English synonyms of 2,6-Dinitro-4-(trifluoromethyl)aniline: 2,6-dinitro-4-(trifluoromethyl)aniline, 2,6-DINITRO-4-TRIFLUOROMETHYLANILINE, MFCD00024260. |
| Q: What is the CAS number of 2,6-Dinitro-4-(trifluoromethyl)aniline? |
| A: CAS number of 2,6-Dinitro-4-(trifluoromethyl)aniline is 445-66-9. |
| Q: What is the polar surface area (PSA) of 2,6-Dinitro-4-(trifluoromethyl)aniline? |
| A: Polar surface area (PSA) of 2,6-Dinitro-4-(trifluoromethyl)aniline is 117.66000. |
| Q: What is the LogP of 2,6-Dinitro-4-(trifluoromethyl)aniline? |
| A: LogP of 2,6-Dinitro-4-(trifluoromethyl)aniline is 3.73160. |
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. |