2-METHYL-5-NITROBENZOTRIFLUORIDE
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2-METHYL-5-NITROBENZOTRIFLUORIDE
structure -
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CAS No:
89976-12-5
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Formula:
C8H6F3NO2
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Chemical Name:
2-METHYL-5-NITROBENZOTRIFLUORIDE
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Synonyms:
2-METHYL-5-NITROBENZOTRIFLUORIDE;4-NITRO-2-(TRIFLUOROMETHYL)TOLUENE;3-TrifluoroMethyl-4-Methylnitrobenzene;4-Nitro-2-(trifluoromethyl)toluene, 4-Methyl-3-(trifluoromethyl)nitrobenzene;Benzene,1-Methyl-4-nitro-2-(trifluoroMethyl)-;2-Methyl-5-nitrobenzotrifluoride, 97+%;4-nitro-2-trifluorotoluene
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CAS No:
2-METHYL-5-NITROBENZOTRIFLUORIDE Basic Attributes
205.13
205.035065
1592732-453-0
DTXSID90379550
2904909090
Characteristics
45.8
3.4
Off-white Solid
1.4±0.1 g/cm3
34-35 °C
220.5°C at 760 mmHg
87.1±25.9 °C
1.476
Slightly soluble in water.
Safety Information
6.1
20/21/22-36/37/38
23-26-36/37/39
Xi
Harmful
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501
H301+H311+H331
|Danger|H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-METHYL-5-NITROBENZOTRIFLUORIDE Use and Manufacturing
Synthesis of 4-nitro-2-trifluoromethyl toluene:Into a 250 ml four-necked flask, 50 g of 2-trifluoromethylbenzene and 250 g of 98percent sulfuric acid were charged and stirred to cool down to 10 ° C. 50 g of 65percent nitric acid was added dropwise over about 2 hours, To the reaction of raw materials completely, stop the reaction. The reaction solution was poured into 200 grams of crushed ice, Add 150 ml of dichloromethane, layer, The aqueous phase was extracted once more with 100 ml of dichloromethane, the organic phases were combined, And successively washed with 80 ml of saturated sodium bicarbonate and 50 ml of water, Concentration to dryness gave 62 g of a light yellow oil, yield: 97percent. Without further purification of the next reaction.
Computed Properties
Molecular Weight:205.13
XLogP3:3.4
Hydrogen Bond Acceptor Count:5
Exact Mass:205.03506292
Monoisotopic Mass:205.03506292
Topological Polar Surface Area:45.8
Heavy Atom Count:14
Complexity:224
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-METHYL-5-NITROBENZOTRIFLUORIDE
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