2-Ethylhexyl bromide

• Catalog Number: ACM18908662
• Product Name: 2-Ethylhexyl bromide
• CAS: 18908-66-2
• Category: Aryl
• Synonyms: 3-(bromomethyl)-heptan;Hexane, 1-bromo-2-ethyl;OCTYL BROMIDE;ISO-OCTYL BROMIDE;DL-1-BROMO-2-ETHYLHEXANE;BROMO ISOOCTANE;1-BROMO ISO OCTANE;1-BROMO-2-ETHYLHEXANE
• IUPAC Name: 3-(bromomethyl)heptane
• Molecular Weight: 193.12g/mol
• Molecular Formula: C8H17Br
• Canonical SMILES: CCCCC(CC)CBr
• InChI: InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
• InChI Key: NZWIYPLSXWYKLH-UHFFFAOYSA-N
• Boiling Point: 75-77°C16mm Hg(lit.)
• Flash Point: 157°F
• Density: 1.086g/mL at 25°C(lit.)
• Complexity: 52.5
• Covalently-Bonded Unit Count: 1
• EC Number: 242-659-9
• Exact Mass: 192.05136g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heavy Atom Count: 9
• Monoisotopic Mass: 192.05136g/mol
• RIDADR: NONH for all modes of transport
• Rotatable Bond Count: 5
• Safety Description: 26-36/37/39-37/39
• Supplemental Hazard Statements: H227-H315-H319-H335
• Symbol: GHS07
• XLogP3: 4.5

Custom Q&A

What is the molecular formula of 2-Ethylhexyl bromide?

The molecular formula is C8H17Br.

What is the molecular weight of 2-Ethylhexyl bromide?

The molecular weight is 193.12 g/mol.

What is the IUPAC name of 2-Ethylhexyl bromide?

The IUPAC name is 3-(bromomethyl)heptane.

What is the InChI of 2-Ethylhexyl bromide?

The InChI is InChI=1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3.

What is the InChIKey of 2-Ethylhexyl bromide?

The InChIKey is NZWIYPLSXWYKLH-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Ethylhexyl bromide?

The canonical SMILES is CCCCC(CC)CBr.

What is the CAS number of 2-Ethylhexyl bromide?

The CAS number is 18908-66-2.

What is the EC number of 2-Ethylhexyl bromide?

The EC number is 242-659-9.

What is the UNII of 2-Ethylhexyl bromide?

The UNII is N280JW4C4W.

Is 2-Ethylhexyl bromide a canonicalized compound?

Yes, 2-Ethylhexyl bromide is a canonicalized compound.