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4-Chloro-3-(trifluoromethyl)benzylamine

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Name

4-Chloro-3-(trifluoromethyl)benzylamine

EINECS N/A
CAS No. 62039-92-3 Density 1.353 g/cm3
PSA 26.02000 LogP 3.51780
Solubility N/A Melting Point N/A
Formula C8H7ClF3N Boiling Point 222.9 °C at 760 mmHg
Molecular Weight 209.598 Flash Point 88.6 °C
Transport Information UN 2810 6.1/PG 3 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 25-36/38-43
Molecular Structure Molecular Structure of 62039-92-3 (4-CHLORO-3-(TRIFLUOROMETHYL)BENZYLAMINE) Hazard Symbols ToxicT,CorrosiveC
Synonyms

1-[4-Chloro-3-(trifluoromethyl)phenyl]methanamine;3-Trifluoromethyl-4-chlorobenzylamine;4-Chloro-3-(trifluoromethyl)benzylamine;[4-Chloro-3-(trifluoromethyl)phenyl]methanamine;

Article Data 3

4-Chloro-3-(trifluoromethyl)benzylamine Specification

The 4-Chloro-3-(trifluoromethyl)benzylamine, with its CAS registry number 62039-92-3, has the IUPAC name of [4-chloro-3-(trifluoromethyl)phenyl]methanamine. For being sensitive to air, its product categories are including Amine; Amines; C8; Nitrogen Compounds.

The characteristics of this chemical are as below: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24; (7)Molar Refractivity: 44.57 cm3; (8)Molar Volume: 154.8 cm3; (9)Polarizability: 17.67×10-24 cm3; (10)Surface Tension: 31.2 dyne/cm; (11)Density: 1.353 g/cm3; (12)Flash Point: 88.6 °C; (13)Enthalpy of Vaporization: 45.94 kJ/mol; (14)Boiling Point: 222.9 °C at 760 mmHg; (15)Vapour Pressure: 0.0991 mmHg at 25°C; (16)Exact Mass: 209.021912; (17)MonoIsotopic Mass: 209.021912; (18)Topological Polar Surface Area: 26; (19)Heavy Atom Count: 13; (20)Complexity: 171; (21)Covalently-Bonded Unit Count: 1.

If you are dealing with this chemical, you should be cautious. For one thing, it is toxic which may at low levels cause damage to health. This chemical is irritating to eyes and skin and may cause sensitization by skin contact. For another thing, it is corrosive which may destroy living tissue on contact. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). 

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=CC(=C(C=C1CN)C(F)(F)F)Cl
(2)InChI: InChI=1S/C8H7ClF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H,4,13H2
(3)InChIKey: SRHQOQMNBVOXCF-UHFFFAOYSA-N 

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