(1-Bromoethyl)benzene

• CAS: 585-71-7
• Catalog Number: ACM585717
• Category: Aryl
• Molecular Weight: 185.06g/mol
• Molecular Formula: C8H9Br
• IUPAC Name: 1-bromoethylbenzene
• 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
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 9
• 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
• Symbol: GHS05
• Vapor Density: 6.4
• XLogP3: 2.9

Custom Q&A

What is the molecular formula of (1-Bromoethyl)benzene?

The molecular formula of (1-Bromoethyl)benzene is C8H9Br.

What is the molecular weight of (1-Bromoethyl)benzene?

The molecular weight of (1-Bromoethyl)benzene is 185.06 g/mol.

What is the IUPAC name of (1-Bromoethyl)benzene?

The IUPAC name of (1-Bromoethyl)benzene is 1-bromoethylbenzene.

What is the InChI of (1-Bromoethyl)benzene?

The InChI of (1-Bromoethyl)benzene is InChI=1S/C8H9Br/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3.

What is the InChIKey of (1-Bromoethyl)benzene?

The InChIKey of (1-Bromoethyl)benzene is CRRUGYDDEMGVDY-UHFFFAOYSA-N.

What is the canonical SMILES of (1-Bromoethyl)benzene?

The canonical SMILES of (1-Bromoethyl)benzene is CC(C1=CC=CC=C1)Br.

What is the CAS number of (1-Bromoethyl)benzene?

The CAS number of (1-Bromoethyl)benzene is 585-71-7.

What is the XLogP3 value of (1-Bromoethyl)benzene?

The XLogP3 value of (1-Bromoethyl)benzene is 2.9.

What is the hydrogen bond donor count of (1-Bromoethyl)benzene?

The hydrogen bond donor count of (1-Bromoethyl)benzene is 0.

What is the rotatable bond count of (1-Bromoethyl)benzene?

The rotatable bond count of (1-Bromoethyl)benzene is 1.