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Benzenemethanamine,3-fluoro-4-methyl-

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Name

Benzenemethanamine,3-fluoro-4-methyl-

EINECS N/A
CAS No. 261951-67-1 Density 1.071 g/cm3
PSA 26.02000 LogP 2.29310
Solubility N/A Melting Point N/A
Formula C8H10FN Boiling Point 198 °C at 760 mmHg
Molecular Weight 139.173 Flash Point 82.4 °C
Transport Information 2735 Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 261951-67-1 (3-FLUORO-4-METHYLBENZYLAMINE) Hazard Symbols CorrosiveC
Synonyms

3-Fluoro-4-methylbenzylamine;1-(3-Fluoro-4-methylphenyl)methanamine;Benzenemethanamine, 3-fluoro-4-methyl- (9CI);

Article Data 1

Benzenemethanamine,3-fluoro-4-methyl- Specification

The CAS register number of Benzenemethanamine,3-fluoro-4-methyl- is 261951-67-1. It also can be called as 1-(3-Fluoro-4-methylphenyl)methanamine and the IUPAC name about this chemical is (3-fluoro-4-methylphenyl)methanamine. The molecular formula about this chemical is C8H10FN and the molecular weight is 139.17. It belongs to the following product categories which include Halide; Anilines, Aromatic Amines and Nitro Compounds and so on.

Physical properties about Benzenemethanamine,3-fluoro-4-methyl- are: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): -1.41; (3)ACD/LogD (pH 7.4): -0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.63; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 39.52 cm3; (14)Molar Volume: 129.9 cm3; (15)Polarizability: 15.66x10-24cm3; (16)Surface Tension: 35.8 dyne/cm; (17)Density: 1.071 g/cm3; (18)Flash Point: 82.4 °C; (19)Enthalpy of Vaporization: 43.42 kJ/mol; (20)Boiling Point: 198 °C at 760 mmHg; (21)Vapour Pressure: 0.368 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may destroy living tissue on contact. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Usually it is not harmful to water, and if no official permission, do not put materials into the permission surroundings. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide, air.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1C)CN
(2)InChI: InChI=1/C8H10FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3
(3)InChIKey: XCAJNBJDLZPHNB-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H10FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3
(5)Std. InChIKey: XCAJNBJDLZPHNB-UHFFFAOYSA-N

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