Molecule structure of N-(p-Tosyl)-L-phenylalaninyl chloride (CAS NO.29739-88-6):
Molecular Formula: C16H16ClNO3S
Molecular Weight: 337.82 g/mol
CAS Registry Number: 29739-88-6
Index of Refraction: 1.59
Molar Refractivity: 87.37 cm3
Molar Volume: 258.8 cm3
Surface Tension: 49.2 dyne/cm
Density: 1.304 g/cm3
Flash Point: 251.4 °C
Enthalpy of Vaporization: 75.9 kJ/mol
Boiling Point: 492.1 °C at 760 mmHg
Vapour Pressure: 7.91E-10 mmHg at 25 °C
Melting Point: 132 °C (dec.)(lit.)
Alpha: 11 º (c=2 in chloroform)
Refractive index: 10 ° (C=3, CHCl3)
SMILES: ClC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C)Cc2ccccc2 Copy
InChI: InChI=1/C16H16ClNO3S/c1-12-7-9-14(10-8-12)22(20,21)18-15(16(17)19)11-13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3/t15-/m0/s1
InChIKey: KISOIDIHUAPEON-HNNXBMFYBM
Std. InChI: InChI=1S/C16H16ClNO3S/c1-12-7-9-14(10-8-12)22(20,21)18-15(16(17)19)11-13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3/t15-/m0/s1
Std. InChIKey: KISOIDIHUAPEON-HNNXBMFYSA-N
Product Categories of N-(p-Tosyl)-L-phenylalaninyl chloride (CAS NO.29739-88-6): chiral; for Resolution of Alcohols & Thiols; Optical Resolution; Synthetic Organic Chemistry
Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 22-26-27-36/37/39-45
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
HazardClass: 8
PackingGroup: III
N-(p-Tosyl)-L-phenylalaninyl chloride (CAS NO.29739-88-6) is also called N-[(4-methylphenyl)sulfonyl]-L-phenylalanyl chloride ; (S)-(+)-(p-Tolylsulfonylamino)hydrocinnamoyl chloride ; Tos-Phe-Cl~N-p-Tosyl-L-phenylalaninyl chloride .
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