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5-Chloro-2-fluoronitrobenzene - >98.0%(GC), high purity , CAS No.345-18-6

COA

Grade & Purity:

≥98%(GC)

Cas Number: 345-18-6
Molecular Weight: 175.54
MDL number: MFCD00069418
PubChem CID: 67660
PubChem SID: 488183979

In stock

Item Number

C154117

Grouped product items
SKU	Size	Availability	Price
C154117-1g	1g	1	$11.90
C154117-5g	5g	5	$45.90
C154117-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$82.90
C154117-25g	25g	2	$159.90
C154117-100g	100g	2	$574.90
C154117-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,585.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	1-FLUORO-4-CHLORO-2-NITROBENZENE \| DTXSID20188056 \| SCHEMBL17145919 \| 5-chloro-2-fluoronitrobenzene \| EINECS 206-457-4 \| 1-CHLORO-4-FLUORO-3-NITROBENZENE \| 3-CHLORO-6-FLUORO-1-NITROBENZENE \| STK802227 \| GS-3402 \| SCHEMBL306375 \| EN300-173426 \| 2-Fluoro-5-
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Nitroaromatic compounds Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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	488183979
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183979
IUPAC Name	4-chloro-1-fluoro-2-nitrobenzene
INCHI	InChI=1S/C6H3ClFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKey	DIAWBHLTWNWYGR-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Cl)[N+](=O)[O-])F
Isomeric SMILES	C1=CC(=C(C=C1Cl)[N+](=O)[O-])F
Molecular Weight	175.54
Reaxy-Rn	2503270
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2503270&ln=

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

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

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8 results found

Lot Number	Certificate Type	Date	Item
D2001104	Certificate of Analysis	Jan 04, 2024	C154117
K2225342	Certificate of Analysis	Sep 01, 2022	C154117
K2225358	Certificate of Analysis	Sep 01, 2022	C154117
K2224325	Certificate of Analysis	Sep 01, 2022	C154117
K2225359	Certificate of Analysis	Sep 01, 2022	C154117
K2225326	Certificate of Analysis	Sep 01, 2022	C154117
K2225314	Certificate of Analysis	Sep 01, 2022	C154117
K2225372	Certificate of Analysis	Sep 01, 2022	C154117

Chemical and Physical Properties

Refractive Index	1.55
Flash Point(°C)	97 °C
Boil Point(°C)	237°C(lit.)
Melt Point(°C)	10°C(lit.)
Molecular Weight	175.540 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	174.984 Da
Monoisotopic Mass	174.984 Da
Topological Polar Surface Area	45.800 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161.000
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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