3'-(Trifluoromethyl)biphenyl-3-amine Hydrochloride - CAS 811842-42-9
Catalog: |
BB036625 |
Product Name: |
3'-(Trifluoromethyl)biphenyl-3-amine Hydrochloride |
CAS: |
811842-42-9 |
Synonyms: |
3-[3-(trifluoromethyl)phenyl]aniline;hydrochloride; 3-[3-(trifluoromethyl)phenyl]aniline;hydrochloride |
IUPAC Name: | 3-[3-(trifluoromethyl)phenyl]aniline;hydrochloride |
Description: | 3'-(Trifluoromethyl)biphenyl-3-amine Hydrochloride (CAS# 811842-42-9) is a useful pharmaceutical intermediate. |
Molecular Weight: | 273.68 |
Molecular Formula: | C13H11ClF3N |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=CC=C2)N.Cl |
InChI: | InChI=1S/C13H10F3N.ClH/c14-13(15,16)11-5-1-3-9(7-11)10-4-2-6-12(17)8-10;/h1-8H,17H2;1H |
InChI Key: | VQSYGRWBFWQJIS-UHFFFAOYSA-N |
LogP: | 5.33780 |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.0532115 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.0532115 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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