3-Chloro-4-fluorobenzylamine - CAS 72235-56-4
Catalog: |
BB034581 |
Product Name: |
3-Chloro-4-fluorobenzylamine |
CAS: |
72235-56-4 |
Synonyms: |
(3-chloro-4-fluorophenyl)methanamine; (3-chloro-4-fluorophenyl)methanamine |
IUPAC Name: | (3-chloro-4-fluorophenyl)methanamine |
Description: | 3-Chloro-4-fluorobenzylamine (CAS# 72235-56-4) is a useful research chemical. |
Molecular Weight: | 159.59 |
Molecular Formula: | C7H7ClFN |
Canonical SMILES: | C1=CC(=C(C=C1CN)Cl)F |
InChI: | InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2 |
InChI Key: | LQAUXDMGRBWDIU-UHFFFAOYSA-N |
Boiling Point: | 111-113 °C (15 torr) |
Density: | 1.27 g/cm3 |
MDL: | MFCD00042507 |
LogP: | 2.63810 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113264895-A | Synthetic method for preparing benzoxazole compound from catechol compound and amine compound | 20210606 |
CN-112778067-A | Method for synthesizing thioamide compound by using copper to catalyze 1,2, 3-thiodiazole compound and amine | 20210129 |
CN-112645937-A | Aza spiro ring and polycyclic andrographolide compound, preparation method thereof, pharmaceutical composition and application thereof | 20201228 |
CN-111202068-A | N-benzyl benzamide compound and preparation method and application thereof | 20200311 |
WO-2021127459-A1 | Gpr139 receptor modulators | 20191220 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.0251051 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.0251051 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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