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

CAS
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Purity
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CAS
1000994-95-5
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM1000994955

Product Name

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

Structure

Structure

CAS

1000994-95-5

Category

Heterocyclic Organic Compound

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

Molecular Weight

221.05

Molecular Formula

C8H7BrF2

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

MSDS

COA

Spec Sheet

Download Spec Sheet

May 23, 2023

Has good application in drug synthesis.

Derivatives of 1-Bromo-4-(1,1-difluoroethyl)benzene can be used to treat respiratory diseases.

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.

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