3-Bromo-5-(trifluoromethyl)phenol - CAS 1025718-84-6
Catalog: |
BB071234 |
Product Name: |
3-Bromo-5-(trifluoromethyl)phenol |
CAS: |
1025718-84-6 |
Synonyms: |
3-Bromo-5-(trifluoromethyl)phenol; 3-Bromo-5-Trifluoromethylphenol; 5-BROMO-3-TRIFLUOROMETHYLPHENOL; Phenol, 3-bromo-5-(trifluoromethyl)- |
IUPAC Name: | 3-bromo-5-(trifluoromethyl)phenol |
Description: | 3-Bromo-5-(trifluoromethyl)phenol |
Molecular Weight: | 241.01 |
Molecular Formula: | C7H4BrF3O |
Canonical SMILES: | C1=C(C=C(C=C1O)Br)C(F)(F)F |
InChI: | InChI=1S/C7H4BrF3O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H |
InChI Key: | BWJBVICFLRSNNM-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.93976 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.93976 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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