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  • Benzenemethanamine,4-fluoro
Name:Benzenemethanamine,4-fluoro
CAS No:140-75-0

PRODUCT DESCRIPTION

【Name】
Benzenemethanamine,4-fluoro-
【Iupac name】
(4-fluorophenyl)methanamine
【CAS Registry number】
140-75-0
【Synonyms】
Benzylamine,p-fluoro- (7CI,8CI)
(4-Fluorophenyl)methanamine
1-(4-Fluorophenyl)methanamine
4-Fluorobenzenemethanamine
NSC 158269
[(4-Fluorophenyl)methyl]amine
p-Fluorobenzylamine
【EINECS(EC#)】
205-430-4
【Molecular Formula】
C7H8FN (Products with the same molecular formula)
【Molecular Weight】
125.14
【Inchi】
InChI=1/C7H8FN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
【InChIKey】
IIFVWLUQBAIPMJ-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=CC=C1CN)F
【MOL File】
140-75-0.mol

Chemical and Physical Properties

【Appearance】
Clear, colorless liquid.
【Density】
1.09
【Boiling Point】
183℃
【Vapour】
0.134mmHg at 25°C
【Refractive Index】
1.5117
【Flash Point】
66℃
【Solubilities】
Very soluble
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29214980
【Storage temp】
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
【Computed Properties】
Molecular Weight:125.143523 [g/mol]
Molecular Formula:C7H8FN
XLogP3:1.1
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:125.064077
MonoIsotopic Mass:125.064077
Topological Polar Surface Area:26
Heavy Atom Count:9
Formal Charge:0
Complexity:77
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R34
【Safety Statements 】
S36/39
【HazardClass】
8
【Hazard Note】
Irritant
【PackingGroup 】
III
【Sensitive】
Air Sensitive
【Transport】
UN 2735 8/PG 2

Use and Manufacturing

【Usage】
A benzylamine derivative as a potassium channel blocking agent.

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