CAS No.3048-01-9,2-(TRIFLUOROMETHYL)BENZYLAMINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3048-01-9
Name:	2-(TRIFLUOROMETHYL)BENZYLAMINE
Article Data:	11

Formula:	C₈H₈F₃N
Molecular Weight:	175.153
Synonyms:	Benzylamine,o-(trifluoromethyl)- (7CI,8CI);1-[2-(Trifluoromethyl)phenyl]methanamine;2-(Trifluoromethyl)benzenemethanamine;2-Trifluoromethyl-1-benzylamine;2-Trifluoromethylbenzylamine;[2-(Trifluoromethyl)phenyl]methanamine;[[2-(Trifluoromethyl)phenyl]methyl]amine;o-(Trifluoromethyl)benzylamine;
EINECS:	221-258-2
Density:	1.225 g/cm³
Boiling Point:	178.8 °C at 760 mmHg
Flash Point:	69.4 °C
Appearance:	clear colorless to light yellow liquid
Hazard Symbols:	C
Risk Codes:	22-34-52/53
Safety:	26-36/37/39-45-61
Transport Information:	UN 2735 8/PG 3
PSA:	26.02000
LogP:	2.86440

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Specification

The IUPAC name of 2-(Trifluoromethyl)benzylamine is [2-(trifluoromethyl)phenyl]methanamine. With the CAS registry number 3048-01-9, it is also named as Benzenemethanamine,2-(trifluoromethyl)-. The product's categories are Amines and Anilines; Amine; API Intermediates. Besides, it is clear colorless to light yellow liquid, which should be stored in closed, cool and dry place. It is air sensitive. In addition, its molecular formula is C₈H₈F₃N and its molecular weight is 175.15.

The other characteristics of 2-(Trifluoromethyl)benzylamine can be summarized as: (1)EINECS: 221-258-2; (2)ACD/LogP: 1.66; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.28; (5)ACD/LogD (pH 7.4): 0.11; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 5.39; (10)#H bond acceptors: 1; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 3.24 Å²; (14)Index of Refraction: 1.467; (15)Molar Refractivity: 39.68 cm³; (16)Molar Volume: 142.9 cm³; (17)Polarizability: 15.73×10^-24cm³; (18)Surface Tension: 28.5 dyne/cm; (19)Density: 1.225 g/cm³; (20)Flash Point: 69.4 °C; (21)Enthalpy of Vaporization: 41.51 kJ/mol; (22)Boiling Point: 178.8 °C at 760 mmHg; (23)Vapour Pressure: 0.971 mmHg at 25 °C.

Preparation of this product: this chemical can be prepared by 2-Trifluoromethyl-benzonitrile.

This reaction needs H₂, 60 percent Ni/SiO₂, liquid Ammonia and Methanol at temperature of 120 °C. The reaction time is 6 hours. The yield is 97 %.

Uses of this product: it can react with 4-Chloro-3-nitro-pyridine to get (3-Nitro-pyridin-4-yl)-(2-trifluoromethyl-benzyl)-amine.

This reaction needs Et₃N, Dioxane and H₂O at temperature of 0-20 °C for 15.5 hours. The yield is 73 %.

When you are using this chemical, please be cautious about it as the following: it is harmful if swallowed. It also may cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible). Furthermore, it is harmful to aquatic organisms that may cause long-term adverse effects in the aquatic environment. Please avoid release to the environment. Refer to special instructions / safety data sheets.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1ccccc1CN
(2)InChI: InChI=1/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
(3)InChIKey: ZSKQIFWUTUZAGF-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H8F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H,5,12H2
(5)Std. InChIKey: ZSKQIFWUTUZAGF-UHFFFAOYSA-N