3-Chloro-4-(trifluoromethyl)aniline - CAS 445-13-6
Catalog: |
BB025631 |
Product Name: |
3-Chloro-4-(trifluoromethyl)aniline |
CAS: |
445-13-6 |
Synonyms: |
3-chloro-4-(trifluoromethyl)aniline; 3-chloro-4-(trifluoromethyl)aniline |
IUPAC Name: | 3-chloro-4-(trifluoromethyl)aniline |
Description: | 3-Chloro-4-(trifluoromethyl)aniline (CAS# 445-13-6) is a useful research chemical. |
Molecular Weight: | 195.57 |
Molecular Formula: | C7H5ClF3N |
Canonical SMILES: | C1=CC(=C(C=C1N)Cl)C(F)(F)F |
InChI: | InChI=1S/C7H5ClF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2 |
InChI Key: | KZAMRRANXJVDCD-UHFFFAOYSA-N |
Boiling Point: | 242.8 °C at 760 mmHg |
Density: | 1.425 g/cm3 |
MDL: | MFCD00278479 |
LogP: | 3.52220 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): 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 (100%): 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-111574432-A | Soluble epoxy hydrolase and gamma-aminobutyric acid dual inhibitor and application thereof | 20200617 |
WO-2021067791-A1 | Oxalamide compounds and compositions for treating conditions associated with sting activity | 20191003 |
WO-2020189540-A1 | Method for preparing aromatic amino acid derivative | 20190315 |
WO-2020077197-A1 | Compositions for the treatment of brain tumors | 20181011 |
WO-2020043866-A1 | Compounds | 20180831 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0062613 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0062613 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Amines and Anilines
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