2,6-Dichloro-4-(trifluoromethoxy)aniline - CAS 99479-66-0
Catalog: |
BB042299 |
Product Name: |
2,6-Dichloro-4-(trifluoromethoxy)aniline |
CAS: |
99479-66-0 |
Synonyms: |
Benzenamine, 2,6-dichloro-4-(trifluoromethoxy)-; 2,6-dichloro-4-trifluoromethoxy-phenylamine; 3,5-dichloro-4-aminotrifluoromethoxybenzene; 2-Amino-1,3-dichloro-5-(trifluoromethoxy)benzene; 2,6-dichloro-4-(trifluoromethoxy)benzenamine; 4-Amino-3,5-dichloro-α,α,α-trifluoroanisole |
IUPAC Name: | 2,6-dichloro-4-(trifluoromethoxy)aniline |
Molecular Weight: | 246.01 |
Molecular Formula: | C7H4Cl2F3NO |
Canonical SMILES: | C1=C(C=C(C(=C1Cl)N)Cl)OC(F)(F)F |
InChI: | InChI=1S/C7H4Cl2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2 |
InChI Key: | FKISQWQHZULEEG-UHFFFAOYSA-N |
Boiling Point: | 226.7±35.0°C at 760 mmHg |
Melting Point: | 30-32°C |
Purity: | ≥95% |
Density: | 1.542±0.1 g/cm3 |
Appearance: | Colorless to White to Pale Brown Powder, Low Melting Solid or Crystalline Needles |
Storage: | Store at RT |
MDL: | MFCD00190128 |
LogP: | 4.05540 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.9622036 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.9622036 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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