Benzenemethanamine,3,5-difluoro-a-methyl- supplier

Name
(RS)-1-(3,5-DIFLUOROPHENYL)ETHYLAMINE
EINECS
CAS No. 321318-29-0
Article Data8
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point
Formula C₈H₉F₂N
Boiling Point 175.4 °C at 760 mmHg
Molecular Weight 157.163
Flash Point 72.8 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 1-(3,5-Difluorophenyl)ethylamine;
PSA 26.02000
LogP 2.68480

Benzenemethanamine,3,5-difluoro-a-methyl- Specification

The CAS register number of Benzenemethanamine,3,5-difluoro-a-methyl- is 321318-29-0. The IUPAC name about this chemical is 1-(3,5-difluorophenyl)ethanamine. The molecular formula about this chemical is C₈H₉F₂N and the molecular weight is 157.16.

Physical properties about Benzenemethanamine,3,5-difluoro-a-methyl- are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): -1.43; (3)ACD/LogD (pH 7.4): -0.22; (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): 2.77; (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: 1.493; (13)Molar Refractivity: 39.32 cm³; (14)Molar Volume: 135 cm³; (15)Polarizability: 15.59x10^-24cm³; (16)Surface Tension: 33.8 dyne/cm; (17)Density: 1.163 g/cm³; (18)Flash Point: 72.8 °C; (19)Enthalpy of Vaporization: 41.17 kJ/mol; (20)Boiling Point: 175.4 °C at 760 mmHg; (21)Vapour Pressure: 1.15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)C(N)C
(2)InChI: InChI=1/C8H9F2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3
(3)InChIKey: XTIXPIMMHGCRJD-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H9F2N/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3
(5)Std. InChIKey: XTIXPIMMHGCRJD-UHFFFAOYSA-N

Product Name

(RS)-1-(3,5-DIFLUOROPHENYL)ETHYLAMINE

Benzenemethanamine,3,5-difluoro-a-methyl- Specification

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