3-Nitrobenzotrifluoride - CAS 98-46-4
Catalog: |
BB042168 |
Product Name: |
3-Nitrobenzotrifluoride |
CAS: |
98-46-4 |
Synonyms: |
m-Nitrobenzotrifluoride; 3-(Trifluoromethyl)nitrobenzene; Benzene, 1-nitro-3-(trifluoromethyl)-; 1,3-Nitrobenzotrifluoride; alpha,alpha,alpha-Trifluoro-3-nitrotoluene; NSC 10313; 3-Nitro-a,a,a-trifluorotoluene |
IUPAC Name: | 1-nitro-3-(trifluoromethyl)benzene |
Description: | 3-Nitrobenzotrifluoride (CAS# 98-46-4) is a useful intermediate. |
Molecular Weight: | 191.11 |
Molecular Formula: | C7H4F3NO2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F |
InChI: | InChI=1S/C7H4F3NO2/c8-7(9,10)5-2-1-3-6(4-5)11(12)13/h1-4H |
InChI Key: | WHNAMGUAXHGCHH-UHFFFAOYSA-N |
Boiling Point: | 200-205 ℃ |
Melting Point: | -5 ℃ |
Flash Point: | 214 °F |
Purity: | 98 % |
Density: | 1.436 g/cm3 |
Solubility: | Insoluble in Water |
Appearance: | Pale Oily Liquid |
Storage: | Store at RT |
MDL: | MFCD00007260 |
LogP: | 3.13680 |
Vapor Pressure: | 0.25 [mmHg] |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P284, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P320, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113045425-A | Method for preparing 2,2 '-bis (trifluoromethyl) -4, 4' -dinitrobiphenyl | 20210318 |
CN-113024385-A | Preparation method of 2,2 '-bis (trifluoromethyl) -4, 4' -diaminobiphenyl | 20210316 |
CN-112939796-A | Synthetic method of 2,2 '-bis (trifluoromethyl) -4,4' -diaminobiphenyl | 20210123 |
CN-112608279-A | Non-coplanar benzimidazole diamine and preparation method thereof | 20201211 |
CN-112458283-A | Phenanthroline phosphorus oxide and method for extracting and separating trivalent lanthanide and/or actinide ions | 20201126 |
PMID | Publication Date | Title | Journal |
14605416 | 20031101 | 1-(4-chlorophenylsulfanyl)-2-nitro-4-(trifluoromethyl)benzene and 1-(4-chlorophenylsulfanyl)-4-nitro-2-(trifluoromethyl)benzene | Acta crystallographica. Section C, Crystal structure communications |
12502079 | 20021201 | Electron-capturing derivatization of neutral steroids for increasing sensitivity in liquid chromatography/negative atmospheric pressure chemical ionization-mass spectrometry | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.01941286 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.01941286 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS