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52516-30-0

Basic Information
CAS No.: 52516-30-0
Name: 3-(TRIFLUOROMETHYL)PHENETHYLAMINE
Article Data: 10
Molecular Structure:
Molecular Structure of 52516-30-0 (3-(TRIFLUOROMETHYL)PHENETHYLAMINE)
Formula: C9H10F3N
Molecular Weight: 189.18
Synonyms: 2-(3-Trifluoromethylphenyl)ethanamine;2-(3-Trifluoromethylphenyl)ethylamine;3-Trifluoromethylphenethylamine;m-(Trifluoromethyl)phenethylamine;b-3-Trifluoromethylphenylethylamine;
EINECS: 257-988-3
Density: 1.186g/cm3
Boiling Point: 200.9 °C at 760 mmHg
Flash Point: 81.3 °C
Appearance: Clear colorless to pale yellow liquid
Hazard Symbols: R34:Causes burns.;
Risk Codes: 34
Safety: 45-36/37/39-25
PSA: 26.02000
LogP: 2.90690
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  • 2-(3-Trifluoromethylphenyl)ethylamine

  • Casno:

    52516-30-0

    2-(3-Trifluoromethylphenyl)ethylamine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    High quality Products with prompt delivery Package:based on customer requirement Application:organic intermediates Transportation:By air or By sea Port:any port of China

    Wuhan Chemwish Technology Co., Ltd is one of China's leading chemical corporations, which can offer customers for more than 50,000 pharmaceutical intermediates. We have a dedicated

  • Wuhan Chemwish Technology Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-27-67849912

    Address:Room 1311, Unit 2, Block1, Innovation Road East Lake High-tech Development Zone Wuhan, Hubei,P.R. China

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  • 3-(Trifluoromethyl)-benzeneethanamine

  • Casno:

    52516-30-0

    3-(Trifluoromethyl)-benzeneethanamine

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    high purity Application:Drug intermediates Materials intermediates and active molecules

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

  • NovaChemistry

    United Kingdom  |  Contact Details

    Business Type:Trading Company

    Tel:+44 (0)208 191 7890

    Address:Unit11, Ark Business Centre, Gorden Road, Loughborough, United Kingdom

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Specification

The 3-Trifluoromethylphenethylamine, with CAS registry number 52516-30-0, has the systematic name of 2-[3-(trifluoromethyl)phenyl]ethanamine. This chemical is a kind of clear colorless to pale yellow liquid. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C9H10F3N. What's more, its EINECS is 257-988-3.

Physical properties of 3-Trifluoromethylphenethylamine: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.04; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.66; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 44.31 cm3; (15)Molar Volume: 159.4 cm3; (16)Polarizability: 17.56×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 81.3 °C; (20)Enthalpy of Vaporization: 43.71 kJ/mol; (21)Boiling Point: 200.9 °C at 760 mmHg; (22)Vapour Pressure: 0.317 mmHg at 25°C.

Uses of 3-Trifluoromethylphenethylamine: it can be used to produce C18H19F6N3O4S2. This reaction will need reagent imidodisulfuryl chloride, Et3N and solvent acetonitrile. The reaction time is 15 hour(s) with reaction temperature of 25 ℃. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
The 3-Trifluoromethylphenethylamine may cause burns. You should avoid contact with eyes. When use it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(c1)CCN
(2)InChI: InChI=1/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2
(3)InChIKey: BPVYCXMGJPKOTQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,6H,4-5,13H2
(5)Std. InChIKey: BPVYCXMGJPKOTQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 132mg/kg (132mg/kg)   "International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.