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1-Bromo-2-difluoromethylbenzene - 98%, high purity , CAS No.845866-82-2

COA

Grade & Purity:

≥98%

Cas Number: 845866-82-2
Molecular Weight: 207.02
PubChem CID: 2761181
PubChem SID: 504761601

In stock

Item Number

B186886

Grouped product items
SKU	Size	Availability	Price
B186886-1g	1g	5	$31.90
B186886-5g	5g	5	$73.90
B186886-25g	25g	3	$329.90

Basic Description

Synonyms	1-bromo-2-(difluoromethyl)benzene \| 845866-82-2 \| 1-Bromo-2-difluoromethylbenzene \| 2-(difluoromethyl)bromobenzene \| MFCD06657962 \| Benzene,1-bromo-2-(difluoromethyl)- \| SCHEMBL183025 \| 1-bromo-2-difluoromethyl-benzene \| DTXSID80375607 \| AMY28139 \| BBL101526 \| STL555322 \| AKOS00
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Bromobenzenes
Alternative Parents	Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504761601
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761601
IUPAC Name	1-bromo-2-(difluoromethyl)benzene
INCHI	InChI=1S/C7H5BrF2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,7H
InChIKey	RMYPQIOCZSWSDG-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)C(F)F)Br
Isomeric SMILES	C1=CC=C(C(=C1)C(F)F)Br
WGK Germany	3
Molecular Weight	207.02
Reaxy-Rn	18406222
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18406222&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
B23181000	Certificate of Analysis	Dec 17, 2022	B186886
B23181015	Certificate of Analysis	Dec 17, 2022	B186886
B23181021	Certificate of Analysis	Dec 17, 2022	B186886

Chemical and Physical Properties

Refractive Index	n20/D 1.514
Flash Point(°F)	179.6 °F
Flash Point(°C)	82 °C
Molecular Weight	207.010 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	205.954 Da
Monoisotopic Mass	205.954 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	106.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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