CAS No.62129-39-9,(S)-N-Boc-4-Bromophenylalanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62129-39-9
Name:	(S)-N-Boc-4-Bromophenylalanine
Article Data:	5

Formula:	C₁₄H₁₈BrNO₄
Molecular Weight:	344.205
Synonyms:	(2S)-2-(tert-Butoxycarbonylamino)-3-(4-bromophenyl)propanoicacid;(S)-3-(4-Bromophenyl)-2-[(tert-butoxycarbonyl)amino]propionic acid;Boc-Phe(4-Br)-OH;
EINECS:	1592732-453-0
Density:	1.405 g/cm³
Melting Point:	118 °C
Boiling Point:	475.3 °C at 760 mmHg
Flash Point:	241.2 °C
Solubility:	Slightly soluble in water.
Appearance:	off-white powder
Hazard Symbols:	Xi
Safety:	24/25
PSA:	75.63000
LogP:	3.36040

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Chemistry

IUPAC Name: (2S)-3-(4-Bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic
Synonyms of (S)-N-Boc-4-Bromophenylalanine (CAS NO.62129-39-9): N-tert-Butoxycarbonyl-4-bromophenyl-L-alanine
CAS NO: 62129-39-9
Molecular Formula: C₁₄H₁₈BrNO₄
Molecular Weight: 344.20
Molecular Structure:
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 6
Polar Surface Area: 55.84 Å²
Index of Refraction: 1.551
Molar Refractivity: 78.14 cm³
Molar Volume: 244.8 cm³
Surface Tension: 46.7 dyne/cm
Density: 1.405 g/cm³
Flash Point: 241.2 °C
Enthalpy of Vaporization: 77.82 kJ/mol
Boiling Point: 475.3 °C at 760 mmHg
Vapour Pressure: 7.71E-10 mmHg at 25°C
Melting point: 118 °C
Storage temp: Store at RT
Appearance: off-white powder
SMILES: Brc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
InChI: InChI=1/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
InChIKey: ULNOXUAEIPUJMK-NSHDSACABO
Std. InChI: InChI=1S/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
Std. InChIKey: ULNOXUAEIPUJMK-NSHDSACASA-N
Product Categories of (S)-N-Boc-4-Bromophenylalanine (CAS NO.62129-39-9): Amino Acids;Phenylalanine analogs and other aromatic alpha amino acids;a-amino

Safety Profile

Safety Information of (S)-N-Boc-4-Bromophenylalanine (CAS NO.62129-39-9):
Hazard Codes: Xi
Safety Statements: 24/25
S24/25: Avoid contact with skin and eyes.
HazardClass: IRRITANT

Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Store in a tightly closed container.