2-Bromo-5-(trifluoromethyl)benzonitrile - CAS 1483-55-2
Catalog: |
BB010292 |
Product Name: |
2-Bromo-5-(trifluoromethyl)benzonitrile |
CAS: |
1483-55-2 |
Synonyms: |
2-bromo-5-(trifluoromethyl)benzonitrile; 2-bromo-5-(trifluoromethyl)benzonitrile |
IUPAC Name: | 2-bromo-5-(trifluoromethyl)benzonitrile |
Description: | 2-Bromo-5-(trifluoromethyl)benzonitrile (CAS# 1483-55-2) is a useful research chemical. |
Molecular Weight: | 250.02 |
Molecular Formula: | C8H3BrF3N |
Canonical SMILES: | C1=CC(=C(C=C1C(F)(F)F)C#N)Br |
InChI: | InChI=1S/C8H3BrF3N/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-3H |
InChI Key: | ICEINTPQBJRYDE-UHFFFAOYSA-N |
Boiling Point: | 107-115 °C (10 torr) |
Melting Point: | 50-51 °C |
Purity: | 98 % |
Density: | 1.653 g/cm3 |
Appearance: | White solid |
MDL: | MFCD03412187 |
LogP: | 3.33958 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021011713-A1 | Imidazopyrimidines as eed inhibitors and the use thereof | 20190716 |
US-2021094941-A1 | Antimalarial Hexahydropyrimidine Analogues | 20180406 |
CN-109422674-A | Organic molecule is especially used for the organic molecule of opto-electronic device | 20170825 |
DE-102017119592-B3 | Organic molecules, in particular for use in optoelectronic devices | 20170825 |
US-2019062312-A1 | Organic molecules, in particular for use in optoelectronic devices | 20170825 |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.94010 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.94010 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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