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Basic Information
CAS No.: 588-93-2
Name: 1-Bromo-4-propylbenzene
Molecular Structure:
Molecular Structure of 588-93-2 (1-Bromo-4-propylbenzene)
Formula: C9H11Br
Molecular Weight: 199.09
Synonyms: 1-Propyl-4-bromobenzene;4-Bromopropylbenzene;4-Propyl-1-bromobenzene;4-Propylbromobenzene;4-n-Propylbromobenzene;Benzene,1-bromo-4-propyl-;
Density: 1.284 g/cm3
Melting Point: -41.4°C
Boiling Point: 224.3 °C at 760 mmHg
Flash Point: 91 °C
Solubility: 2.867mg/L at 20℃
Appearance: clear colorless to slightly yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 0.00000
LogP: 3.40160
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    1-Bromo-4-propylbenzene

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Chemistry


IUPAC Name: 1-Bromo-4-propylbenzene
Canonical SMILES: CCCC1=CC=C(C=C1)Br
InChI: InChI=1S/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChIKey: NUPWGLKBGVNSJX-UHFFFAOYSA-N
Molecular Weight: 199.08764 [g/mol]
Molecular Formula: C9H11Br
XLogP3: 4.2
H-Bond Donor: 0
H-Bond Acceptor: 0 
Product Categories: Benzene derivates; 4-Alkylbromobenzenes (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Aryl; C9 to C12; Halogenated Hydrocarbons 
Index of Refraction: 1.533
Molar Refractivity: 48.12 cm3
Molar Volume: 154.9 cm3
Surface Tension: 34 dyne/cm
Density: 1.284 g/cm3
Flash Point: 91 °C
Enthalpy of Vaporization: 44.21 kJ/mol
Boiling Point: 224.3 °C at 760 mmHg
Vapour Pressure: 0.137 mmHg at 25 °C
Appearance of 1-Bromo-4-propylbenzene (CAS NO.588-93-2): Clear colorless to slightly yellow liquid

Uses

 1-Bromo-4-propylbenzene (CAS NO.588-93-2) is used as raw materials in the synthesis of liquid crystal monomer and pharmaceutical.

Safety Profile

Safety Information of 1-Bromo-4-propylbenzene (CAS NO.588-93-2):
Hazard Codes: Xi  
Risk Statements: 36/37/38
36/37/38:Irritating to eyes, respiratory system and skin  
Safety Statements: 26-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
37/39:Wear suitable gloves and eye/face protection  
WGK Germany: 3
Hazard Note: Irritant

Specification

  1-Bromo-4-propylbenzene (CAS NO.588-93-2), its Synonyms are 1-Propyl-4-bromobenzene ; 4-Bromopropylbenzene ; 4-Propyl-1-bromobenzene ; 4-Propylbromobenzene ; 4-n-Propylbromobenzene ; 4-n-Propylbromobenzene .