4-Bromo-2-(trifluoromethyl)aniline - CAS 445-02-3
Catalog: |
BB025626 |
Product Name: |
4-Bromo-2-(trifluoromethyl)aniline |
CAS: |
445-02-3 |
Synonyms: |
4-bromo-2-(trifluoromethyl)aniline |
IUPAC Name: | 4-bromo-2-(trifluoromethyl)aniline |
Description: | 4-Bromo-2-(trifluoromethyl)aniline (CAS# 445-02-3) is a reagent used for the synthesis of α-aminophosphonate which exhibits moderate antitumor activity. |
Molecular Weight: | 240.02 |
Molecular Formula: | C7H5BrF3N |
Canonical SMILES: | C1=CC(=C(C=C1Br)C(F)(F)F)N |
InChI: | InChI=1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2 |
InChI Key: | PHXGKHTWEOPCEW-UHFFFAOYSA-N |
Boiling Point: | 84-86 °C (5 mmHg) |
Purity: | 98 % |
Density: | 1.71 g/cm3 |
Appearance: | Clear yellow liquid |
MDL: | MFCD00064393 |
LogP: | 3.63130 |
GHS Hazard Statement: | H302 (97.83%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (89.13%): 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 (97.83%): 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 |
CN-113248411-A | Preparation method of halogenated aromatic sulfonyl chloride | 20210521 |
CN-112390734-A | Sulfonamide derivatives, pharmaceutical compositions and uses thereof | 20190815 |
JP-2018178009-A | Adhesive composition for semiconductor device and adhesive tape for semiconductor device | 20170417 |
JP-6876499-B2 | Adhesive composition for semiconductor devices and adhesive tape for semiconductor devices | 20170417 |
US-10172856-B2 | 2,4-diaminopyrimidine derivatives as histamine H4 modulators | 20170406 |
PMID | Publication Date | Title | Journal |
15936238 | 20060201 | Synthesis of N-(4-bromo-2-trifluoromethylphenyl)-1-(2-fluorophenyl)-O,O-dialkyl-alpha-aminophosphonates under ultrasonic irradiation | Ultrasonics sonochemistry |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.95575 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Nitrogen Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS