2-Bromo-3-fluoro-phenylamine - CAS 111721-75-6
Catalog: |
BB054634 |
Product Name: |
2-Bromo-3-fluoro-phenylamine |
CAS: |
111721-75-6 |
Synonyms: |
2-Bromo-3-fluorophenylamine; (2-bromo-3-fluoro-phenyl)-amine |
IUPAC Name: | 2-bromo-3-fluoroaniline |
Molecular Weight: | 190.01 |
Molecular Formula: | C6H5BrFN |
Canonical SMILES: | C1=CC(=C(C(=C1)F)Br)N |
InChI: | InChI=1S/C6H5BrFN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2 |
InChI Key: | XZRSXRUYZXBTGD-UHFFFAOYSA-N |
Boiling Point: | 229.8±20.0 °C at 760 mmHg |
Melting Point: | 32-34°C |
Purity: | 98% |
Density: | 1.67 g/cm3 |
Appearance: | Off-white Crystalline |
GHS Hazard Statement: | H315 (18.18%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (18.18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H331 (81.82%): Toxic if inhaled [Danger Acute toxicity, inhalation]; H335 (27.27%): 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, P316, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 99.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.95894 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.95894 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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