This chemical is called Boron, (benzenemethanamine)trifluoro-, (T-4)-, and its IUPAC name is phenylmethanamine; trifluoroborane. With the molecular formula of C7H9BF3N, its molecular weight is 174.96. The CAS registry number of this chemical is 696-99-1. It's an amine hardening agent.
Other characteristics of the Boron, (benzenemethanamine)trifluoro-, (T-4)- can be summarised as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.95; (4)ACD/LogD (pH 7.4): -0.88; (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; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 60 °C; (14)Enthalpy of Vaporization: 42.12 kJ/mol; (15)Boiling Point: 185 °C at 760 mmHg; (16)Vapour Pressure: 0.713 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FB(F)F.NCc1ccccc1
2.InChI: InChI=1/C7H9N.BF3/c8-6-7-4-2-1-3-5-7;2-1(3)4/h1-5H,6,8H2;
3.InChIKey: YRZFHTRSHNGOSR-UHFFFAOYAS
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | 1052mg/kg (1052mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 27(12), Pg. 54, 1983. |
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