2-Bromo-4-nitro-1-(trifluoromethoxy)benzene - CAS 200958-40-3
Catalog: |
BB015649 |
Product Name: |
2-Bromo-4-nitro-1-(trifluoromethoxy)benzene |
CAS: |
200958-40-3 |
Synonyms: |
2-bromo-4-nitro-1-(trifluoromethoxy)benzene; 2-bromo-4-nitro-1-(trifluoromethoxy)benzene |
IUPAC Name: | 2-bromo-4-nitro-1-(trifluoromethoxy)benzene |
Description: | 2-Bromo-4-nitro-1-(trifluoromethoxy)benzene (CAS# 200958-40-3) is a useful research chemical. |
Molecular Weight: | 286.00 |
Molecular Formula: | C7H3BrF3NO3 |
Canonical SMILES: | C1=CC(=C(C=C1[N+](=O)[O-])Br)OC(F)(F)F |
InChI: | InChI=1S/C7H3BrF3NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H |
InChI Key: | LVTAFGFYMLODQP-UHFFFAOYSA-N |
Boiling Point: | 260.7 °C at 760 mmHg |
Density: | 1.811 g/cm3 |
MDL: | MFCD04973758 |
LogP: | 3.77910 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (33.33%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (33.33%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021188880-A1 | Benzenesulfonamide derivatives as trap1 modulators and uses thereof | 20200320 |
TW-201922724-A | Substituted 3-phenylquinazolin-4(3H)-ones and uses thereof | 20170929 |
WO-2019063704-A1 | SUBSTITUTED 3-PHENYLQUINAZOLIN-4 (3H) -ONES AND USES THEREOF | 20170929 |
WO-2019063708-A1 | SUBSTITUTED 3-PHENYLQUINAZOLIN-4 (3H) -ONES AND USES THEREOF | 20170929 |
AU-2015247575-A1 | Polycyclic hERG activators | 20140417 |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.92484 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.92484 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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