3-Chloro-5-fluorobenzylamine - CAS 90390-33-3
Catalog: |
BB039841 |
Product Name: |
3-Chloro-5-fluorobenzylamine |
CAS: |
90390-33-3 |
Synonyms: |
(3-chloro-5-fluorophenyl)methanamine; (3-chloro-5-fluorophenyl)methanamine |
IUPAC Name: | (3-chloro-5-fluorophenyl)methanamine |
Description: | 3-Chloro-5-fluorobenzylamine (CAS# 90390-33-3) is a useful research chemical. |
Molecular Weight: | 159.59 |
Molecular Formula: | C7H7ClFN |
Canonical SMILES: | C1=C(C=C(C=C1F)Cl)CN |
InChI: | InChI=1S/C7H7ClFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2 |
InChI Key: | XJCYOVBALKWQQC-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | Colorless liquid |
MDL: | MFCD06213787 |
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-112203515-A | Application of N-benzyl benzamide compound as herbicide | 20200311 |
WO-2021179553-A1 | Use of n-benzylbenzamide compound as herbicide | 20200311 |
WO-2020186196-A1 | Trisubstituted pyrazolo [1,5-a] pyrimidine compounds as cdk7 inhibitors | 20190313 |
US-2020055824-A1 | Wdr5-mll1 inhibitors and modulators | 20180816 |
US-10807959-B2 | WDR5-MLL1 inhibitors and modulators | 20180816 |
PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
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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