| Identification | More | [Name]
4-Hydroxy-3-nitrobenzotrifluoride | [CAS]
400-99-7 | [Synonyms]
2-NITRO-4-(TRIFLUOROMETHYL)PHENOL
4-HYDROXY-3-NITROBENZOTRIFLUORIDE
4-HYDROXY-3-NITROBENZOTRIFLUOROIDE
2-nitro-4-(trifluoromethyl)-pheno
2-nitro-alpha,alpha,alpha-trifluoro-p-creso
2-nitro-alpha,alpha,alpha-trifluoro-p-cresol
alpha,alpha,alpha-trifluoro-2-nitro-p-cresol
2-nitro-4-trifluoromethlphenol
4-Hydroxy-3-nitrobenzotrifluoride 97%
4-Hydroxy-3-nitrobenzotrifluoride97% | [EINECS(EC#)]
206-927-9 | [Molecular Formula]
C7H4F3NO3 | [MDL Number]
MFCD00009791 | [Molecular Weight]
207.11 | [MOL File]
400-99-7.mol |
| Chemical Properties | Back Directory | [Boiling point ]
92-94 °C12 mm Hg(lit.)
| [density ]
1.473 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.504(lit.)
| [Fp ]
203 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
Liquid | [pka]
5.53±0.14(Predicted) | [color ]
Yellow to orange | [BRN ]
2215510 | [InChI]
1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H | [InChIKey]
XZEDEVRSUANQEM-UHFFFAOYSA-N | [SMILES]
Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F | [CAS DataBase Reference]
400-99-7(CAS DataBase Reference) | [EPA Substance Registry System]
400-99-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [RTECS ]
GP2984950
| [Hazard Note ]
Irritant | [TSCA ]
T | [HazardClass ]
IRRITANT | [HS Code ]
29089990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Toxicity]
LD50 ipr-mus: 800 mg/kg JPMSAE 57,1763,68 |
| Hazard Information | Back Directory | [Uses]
2-Nitro-4-(trifluoromethyl)phenol has been used in the synthesis of 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester. | [General Description]
2-Nitro-4-(trifluoromethyl)phenol is the major product of solution phase photodecomposition of fluorodifen. | [Safety Profile]
Moderately toxic byintraperitoneal route. When heated to decomposition itemits toxic vapors of NOx and Fí. | [Synthesis]
Example 1: 400 mL of methanol, 20 g of dodecyldimethylbenzylammonium chloride and 180 g of 4-chloro-3-nitrobenzotrifluoride were added to a reaction flask with stirring turned on. Subsequently, 400 g of 50% sodium hydroxide solution was slowly added dropwise, with the dropwise acceleration controlled to raise the reaction temperature to 70°C in about 20 minutes. The reaction mixture was continued stirring at 65°C for 4 hours. Upon completion of the reaction, the mixture was cooled in an ice water bath and the pH was adjusted with concentrated hydrochloric acid to 3. 2-Nitro-4-trifluoromethylphenol was isolated by steam distillation, and about 50 mL of concentrated hydrochloric acid was added to the receiver to facilitate phase separation. After gas chromatographic analysis, 156 g of 2-nitro-4-trifluoromethylphenol was obtained with a purity of >98.5% and a yield of 91% of the theoretical value. The boiling point of the product was 92 °C-95 °C (15 mmHg) and the refractive index nD20 was 1.5020. | [References]
[1] Patent: US4225731, 1980, A |
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