2-Bromo-4-chloro-6-(trifluoromethyl)aniline - CAS 912617-74-4
Catalog: |
BB040097 |
Product Name: |
2-Bromo-4-chloro-6-(trifluoromethyl)aniline |
CAS: |
912617-74-4 |
Synonyms: |
2-bromo-4-chloro-6-(trifluoromethyl)aniline |
IUPAC Name: | 2-bromo-4-chloro-6-(trifluoromethyl)aniline |
Description: | 2-Bromo-4-chloro-6-(trifluoromethyl)aniline (CAS# 912617-74-4) is a useful research chemical. |
Molecular Weight: | 274.47 |
Molecular Formula: | C7H4BrClF3N |
Canonical SMILES: | C1=C(C=C(C(=C1Br)N)C(F)(F)F)Cl |
InChI: | InChI=1S/C7H4BrClF3N/c8-5-2-3(9)1-4(6(5)13)7(10,11)12/h1-2H,13H2 |
InChI Key: | BSWOSDJUIAUNLF-UHFFFAOYSA-N |
Purity: | 98 % |
MDL: | MFCD08436083 |
LogP: | 4.28470 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020160134-A1 | Acetamido derivatives as dna polymerase theta inhibitors | 20190130 |
WO-2020086728-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181024 |
CN-113347970-A | Compounds and compositions for treating conditions associated with NLRP activity | 20181024 |
EP-3870168-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181024 |
WO-2019079119-A1 | SULFONAMIDES AND ASSOCIATED COMPOSITIONS FOR THE TREATMENT OF PATHOLOGICAL CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | 20171017 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.91677 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.91677 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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