CAS No.35016-63-8,(S)-2-Bromo-3-phenylpropionic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35016-63-8
Name:	(S)-2-Bromo-3-phenylpropionic acid
Article Data:	49

Formula:	C₉H₉BrO₂
Molecular Weight:	229.073
Synonyms:	Benzenepropanoicacid, a-bromo-, (S)-;(S)-a-Bromobenzenepropanoic acid;3-Phenyl-2(S)-bromopropionic acid;L-a-Bromo-b-phenylpropionic acid;
Density:	1.559 g/cm³
Melting Point:	145-155 °C
Boiling Point:	301.639 °C at 760 mmHg
Flash Point:	136.227 °C
Appearance:	yellowish oil
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	37.30000
LogP:	2.07720

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Specification

The IUPAC name of (S)-2-Bromo-3-phenylpropionic acid is (2S)-2-bromo-3-phenylpropanoic acid. With the CAS registry number 35016-63-8, it is also named as Benzenepropanoicacid, a-bromo-, (S)-. The product's categories are aromatics compounds, aromatics and miscellaneous reagents. In addition, its molecular formula is C₉H₉BrO₂ and its molecular weight is 229.07. Moreover, it is yellowish oil.

The other characteristics of (S)-2-Bromo-3-phenylpropionic acid can be summarized as: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (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: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 49.69 cm³; (15)Molar Volume: 146.941 cm³; (16)Polarizability: 19.699×10^-24cm³; (17)Surface Tension: 52.202 dyne/cm; (18)Density: 1.559 g/cm³; (19)Flash Point: 136.227 °C; (20)Melting Point: 145-155 °C; (21)Enthalpy of Vaporization: 57.212 kJ/mol; (22)Boiling Point: 301.639 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: (S)-2-Bromo-3-phenylpropionic acid is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
SMILES:Br[C@H](C(=O)O)Cc1ccccc1
InChI:InChI=1/C9H9BrO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1
InChIKey:WDRSCFNERFONKU-QMMMGPOBBN
Std. InChI:InChI=1S/C9H9BrO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)/t8-/m0/s1
Std. InChIKey:WDRSCFNERFONKU-QMMMGPOBSA-N