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(1-Bromoethyl)benzene

Catalog Number
ACM585717
CAS Number
585-71-7
Product Name
(1-Bromoethyl)benzene
Structure
Category
Polymerization Reagents
IUPAC Name
1-bromoethylbenzene
Molecular Weight
185.06g/mol
Molecular Formula
C8H9Br
Canonical SMILES
CC(C1=CC=CC=C1)Br
InChI
InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key
CRRUGYDDEMGVDY-UHFFFAOYSA-N
Boiling Point
94 °C at 16 mm Hg
Melting Point
-65 °C
Flash Point
205 °F
Density
Density = 1.356
Complexity
74.6
Covalently-Bonded Unit Count
1
EC Number
209-560-2
Exact Mass
183.98876g/mol
Formal Charge
0
Hazard Statements
H302-H314
Heavy Atom Count
9
MeSH Entry Terms
(1-bromoethyl)benzene;nona-deuterated cpd of (1-bromoethyl)benzene
Monoisotopic Mass
183.98876g/mol
NSC Number
8052
Other Experimental
DECOMP IN HOT WATER /DL FORM/;SADTLER REFERENCE NUMBER: 4617 (IR, PRISM); 424 (IR,GRATING) /DL FORM/;BP: 202-203 °C @ 760 MM HG /DL/;DENSITY:1.3605 @ 20 °C/4 °C /DL/;SOL IN ALC & ETHER /DL & D FORMS/;SOL IN BENZENE /DL FORM/;INSOL IN WATER /D FORM/;INDEX OF REFRACTION: 1.5612 @ 20 °C/D /DL & D FORMS/;SPECIFIC OPTICAL ROTATION: +15 @ 14 °C/D; DENSITY: 1.3108 @ 23 DEG /D FORM/;MASS: 1253 (Atlas of Mass Spectral Data, John Wiley & Sons, New York) /d form/;IR: 2362 (Coblentz Society Spectral Collection) /dl form/;UV: 1279 (Sadtler Research Laboratories Spectral Collection) /dl form/;NMR: 223 (Sadtler Research Laboratories Spectral Collection) /dl form/;MASS: 1253 (Atlas of Mass Spectral Data, John Wiley & Sons, New York) /dl form/
Rotatable Bond Count
1
Vapor Density
6.4
XLogP3
2.9
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