Benzenemethanamine,2,4-difluoro-α-methyl-,(αS)-, supplier

Name
Benzenemethanamine, 2,4-difluoro-a-methyl-, (aS)-
EINECS
CAS No. 845252-02-0
Article Data2
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
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (alphaS)-2,4-Difluoro-α-methylbenzenemethanamine;
PSA 26.02000
LogP 2.68480

Benzenemethanamine,2,4-difluoro-α-methyl-,(αS)-, Specification

The Benzenemethanamine,2,4-difluoro-α-methyl-,(αS)-, with the CAS registry number 845252-02-0, is also known as (alphaS)-2,4-Difluoro-α-methylbenzenemethanamine. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₈H₉F₂N and molecular weight is 157.162. What's more, its systematic name is called (1S)-1-(2,4-Difluorophenyl)ethanamine.

Physical properties about Benzenemethanamine,2,4-difluoro-α-methyl-,(αS)- are: (1) ACD/LogP: 1.58; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.43; (4) ACD/LogD (pH 7.4): -0.24; (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): 2.62; (9) #H bond acceptors: 1; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 3.24 Å²; (13) Index of Refraction: 1.493; (14) Molar Refractivity: 39.32 cm³; (15) Molar Volume: 135 cm³; (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(F)ccc1[C@@H](N)C
(2) InChI: InChI=1/C8H9F2N/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m0/s1
(3) InChIKey: VBPKWFKAYDHOQW-YFKPBYRVBP

Product Name

Benzenemethanamine, 2,4-difluoro-a-methyl-, (aS)-

Benzenemethanamine,2,4-difluoro-α-methyl-,(αS)-, Specification

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