| Identification | More | [Name]
1-Bromo-3-phenylpropane | [CAS]
637-59-2 | [Synonyms]
1-BROMO-3-PHENYLPROPANE
3-BROMO-1-PHENYLPROPANE
(3-BROMOPROPYL)BENZENE
3-PHENYLPROPYL BROMIDE
G-PHENYLPROPYL BROMIDE
TIMTEC-BB SBB008835
(3-bromopropyl)-benzen
(gamma-Bromopropyl)benzene
1-Phenyl-3-bromopropane
Benzene, (3-bromopropyl)-
gamma-Phenylpropyl bromide
Hydrocinnamyl bromide
(3-Bromopropyl)benzene~3-Phenylpropyl bromide
(3-Bromopropyl)benzene, 3-Phenylpropyl bromide, Hydrocinnamyl bromide
3-Phenyl-1-bromopropane | [EINECS(EC#)]
211-294-7 | [Molecular Formula]
C9H11Br | [MDL Number]
MFCD00000257 | [Molecular Weight]
199.09 | [MOL File]
637-59-2.mol |
| Chemical Properties | Back Directory | [Appearance]
Colorless to light yellow liqui | [Melting point ]
-10°C (estimate) | [Boiling point ]
237-238 °C (lit.) | [density ]
1.31 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.546(lit.)
| [Fp ]
215 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Chloroform, Methanol | [form ]
Liquid | [color ]
Clear colorless to light yellow | [Specific Gravity]
1.31 | [Water Solubility ]
INSOLUBLE | [BRN ]
2205527 | [InChI]
1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 | [InChIKey]
XMZQWZJMTBCUFT-UHFFFAOYSA-N | [SMILES]
BrCCCc1ccccc1 | [CAS DataBase Reference]
637-59-2(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Bromo-3-phenylpropane(637-59-2) | [EPA Substance Registry System]
637-59-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
2810 | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29036990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless to light yellow liqui | [Uses]
1-Bromo-3-phenylpropane is used in the synthesis of MraY natural inhibitors as antibacterial agents. Also used in the preparation of quinolinone derivatives as potent and selective MAO-B inhibitors. | [Synthesis Reference(s)]
Chemical and Pharmaceutical Bulletin, 31, p. 4189, 1983 DOI: 10.1248/cpb.31.4189 | [Synthesis]
Phenylpropanol (137 g, 1 mol) was dissolved in dichloromethane solvent containing triethylamine (205 g, 2 mol).
900 mL, cooled down to 0-5 ° C, slowly added methanesulfonyl chloride (172 g, 1.5 mol) dropwise, dropwise, slowly increased to 25-30 ° C, stir | [Purification Methods]
Wash the bromide successively with conc H2SO4, water, 10% aqueous Na2CO3 and again with water, then dry it with CaCl2 and fractionally distil it just before use. [Beilstein 5 IV 982.] |
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