4'-Bromoacetophenone

• CAS: 99-90-1
• Catalog Number: ACM99901-1
• Category: Bromine Series
• Molecular Weight: 199.05
• Molecular Formula: C8H7BrO
• Synonyms: p-BROMOACETOPHENONEpure;2-BROMO-1-(4-BROMOPHENYL)ETHAN-1-ONE;DIBROMOACETOPHENONE-2,4;GSK-3BETAINHIBITORVII;ChemicalbookA,P-DIBROMOACETOPHENONE;ALPHA,4'-DIBROMOACETOPHENONE;ALPHA-4-DIBROMOACETOPHENONE;ALPHA,P-DIBROMOACETOPHENONE
• IUPAC Name: 1-(4-bromophenyl)ethanone
• Canonical SMILES: CC(=O)C1=CC=C(C=C1)Br
• InChI: InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
• InChI Key: WYECURVXVYPVAT-UHFFFAOYSA-N
• Boiling Point: 53 °C
• Melting Point: 256 °C
• Appearance: White to light yellow to light orange powder to lump
• Complexity: 125
• Covalently-Bonded Unit Count: 1
• EC Number: 202-799-3
• Exact Mass: 197.96803g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 10
• LogP: 2.43 (LogP)
• MDL Number: MFCD00000105
• Monoisotopic Mass: 197.96803g/mol
• NSC Number: 17541
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 1
• Signal Word: Warning
• UNII: 7NB3XRY0C6
• XLogP3: 2.4

Custom Q&A

What is the molecular formula of 4'-Bromoacetophenone according to the reference?

The molecular formula of 4'-Bromoacetophenone is C8H7BrO.

What is the molecular weight of 4'-Bromoacetophenone according to the reference?

The molecular weight of 4'-Bromoacetophenone is 199.04 g/mol.

What are some synonyms of 4'-Bromoacetophenone according to the reference?

Some synonyms of 4'-Bromoacetophenone include 1-(4-Bromophenyl)ethanone, p-Bromoacetophenone, and 4-BROMOACETOPHENONE.

What is the IUPAC name of 4'-Bromoacetophenone according to the reference?

The IUPAC name of 4'-Bromoacetophenone is 1-(4-bromophenyl)ethanone.

What is the InChI of 4'-Bromoacetophenone according to the reference?

The InChI of 4'-Bromoacetophenone is InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3.

What is the InChIKey of 4'-Bromoacetophenone according to the reference?

The InChIKey of 4'-Bromoacetophenone is WYECURVXVYPVAT-UHFFFAOYSA-N.

What is the canonical SMILES of 4'-Bromoacetophenone according to the reference?

The canonical SMILES of 4'-Bromoacetophenone is CC(=O)C1=CC=C(C=C1)Br.

What is the CAS number of 4'-Bromoacetophenone according to the reference?

The CAS number of 4'-Bromoacetophenone is 99-90-1.

What is the XLogP3 value of 4'-Bromoacetophenone according to the reference?

The XLogP3 value of 4'-Bromoacetophenone is 2.4.

What is the topological polar surface area of 4'-Bromoacetophenone according to the reference?

The topological polar surface area of 4'-Bromoacetophenone is 17.1Ų.