1-Bromo-4-(1,1-difluoroethyl)benzene

• CAS: 1000994-95-5
• Catalog Number: ACM1000994955
• Category: Other Products; Bromine Series
• Molecular Weight: 221.05
• Molecular Formula: C8H7BrF2
• Synonyms: 1-bromo-4-(1,1-difluoroethyl)benzene, 1000994-95-5, SureCN13526, CTK3J8531, MolPort-004-968-951, ANW-55395, AKOS005258105, AG-L-20017, QC-4978, 1-Bromo-4-(1,1-difluoroethyl)-Benzene, AK-67199, KB-11711, 1-Bromo-4-(1,1-difluoro-ethyl)-benzene, Benzene, 1-bromo-4-(1,1-difluoroethyl)-, FT-0681746, A16148, I01-12909
• IUPAC Name: 1-bromo-4-(1,1-difluoroethyl)benzene
• Canonical SMILES: CC(C1=CC=C(C=C1)Br)(F)F
• InChI Key: QXIBKCFAFRHORF-UHFFFAOYSA-N
• Appearance: liquid
• Exact Mass: 219.97000
• Hazard Statements: H314
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• RIDADR: UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
• Symbol: GHS05

Custom Reviews

May 23, 2023

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Has good application in drug synthesis.
Derivatives of 1-Bromo-4-(1,1-difluoroethyl)benzene can be used to treat respiratory diseases.

Custom Q&A

What is the molecular formula of 1-Bromo-4-(1,1-difluoroethyl)benzene?

The molecular formula is C8H7BrF2.

What is the molecular weight of 1-Bromo-4-(1,1-difluoroethyl)benzene?

The molecular weight is 221.04 g/mol.

What is the IUPAC name of 1-Bromo-4-(1,1-difluoroethyl)benzene?

The IUPAC name is 1-bromo-4-(1,1-difluoroethyl)benzene.

What is the InChI of 1-Bromo-4-(1,1-difluoroethyl)benzene?

The InChI is InChI=1S/C8H7BrF2/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5H,1H3.

What is the InChIKey of 1-Bromo-4-(1,1-difluoroethyl)benzene?

The InChIKey is QXIBKCFAFRHORF-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-4-(1,1-difluoroethyl)benzene?

The canonical SMILES is CC(C1=CC=C(C=C1)Br)(F)F.

What is the CAS number of 1-Bromo-4-(1,1-difluoroethyl)benzene?

The CAS number is 1000994-95-5.

What is the European Community (EC) number of 1-Bromo-4-(1,1-difluoroethyl)benzene?

The European Community (EC) number is 662-977-5.

What is the XLogP3 value of 1-Bromo-4-(1,1-difluoroethyl)benzene?

The XLogP3 value is 3.8.

Is 1-Bromo-4-(1,1-difluoroethyl)benzene a canonicalized compound?

Yes, it is a canonicalized compound.