CAS No.62924-59-8,2-Chloro-N-ethyl-6-fluorobenzenemethanamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62924-59-8
Name:	2-Chloro-N-ethyl-6-fluorobenzenemethanamine
Article Data:	2

Formula:	C₉H₁₁ClFN
Molecular Weight:	187.644
Synonyms:	2-Chloro-N-ethyl-6-fluorobenzylamine;
Density:	1.146 g/cm³
Boiling Point:	222.9 °C at 760 mmHg
Flash Point:	88.6 °C
PSA:	12.03000
LogP:	2.97950

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Specification

The 2-Chloro-N-ethyl-6-fluorobenzenemethanamine, with the CAS registry number 62924-59-8, is also known as Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro- and N-(2-Chloro-6-fluorobenzyl)ethanamine. This chemical's molecular formula is C₉H₁₁ClFN and molecular weight is 187.64 . What's more, both its IUPAC name and systematic name are the same which is called N-[(2-Chloro-6-fluorophenyl)methyl]ethanamine.

Physical properties about 2-Chloro-N-ethyl-6-fluorobenzenemethanamine are: (1) ACD/LogP: 2.26; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.39; (4) ACD/LogD (pH 7.4): 1.27; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 3.17; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 41.74; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 3.24 Å²; (13) Index of Refraction: 1.509; (14) Molar Refractivity: 48.91 cm³; (15) Molar Volume: 163.7 cm³; (16) Surface Tension: 33.7 dyne/cm; (17) Density: 1.146 g/cm³; (18) Flash Point: 88.6 °C; (19) Enthalpy of Vaporization: 45.94 kJ/mol; (20) Boiling Point: 222.9 °C at 760 mmHg; (21) Vapour Pressure: 0.0988 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCNCC1=C(C=CC=C1Cl)F
(2) InChI: InChI=1S/C9H11ClFN/c1-2-12-6-7-8(10)4-3-5-9(7)11/h3-5,12H,2,6H2,1H3
(3) InChIKey: UYMQEQZDCJUWPU-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
rat	LD50	intravenous	13mg/kg (13mg/kg)	Japanese Kokai Tokyo Koho Patents. Vol. #92-312531,
rat	LD50	oral	12mg/kg (12mg/kg)	Japanese Kokai Tokyo Koho Patents. Vol. #92-312531,
rat	LD50	subcutaneous	7mg/kg (7mg/kg)	Japanese Kokai Tokyo Koho Patents. Vol. #92-312531,