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3-Fluorotoluene - ≥99.0%, high purity , CAS No.352-70-5

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3-Fluorotoluene - ≥99.0%, high purity , CAS No.352-70-5

COA

Grade & Purity:

≥99%

Cas Number: 352-70-5
Molecular Weight: 110.13
Beilstein Registry Number: 1903631
EC Number: 206-524-8
MDL number: MFCD00000339
PubChem CID: 9606
PubChem SID: 504751851

In stock

Item Number

F123650

Grouped product items
SKU	Size	Availability	Price
F123650-25g	25g	3	$11.90
F123650-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
F123650-250g	250g	1	$42.90
F123650-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$77.90

View related series

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

Basic Description

Synonyms	1-fluoranyl-3-methyl-benzene \| SCHEMBL11881 \| MFCD00000339 \| 3-Fluorotoluene \| AKOS000119943 \| m-Fluorotoluene [UN2388] [Flammable liquid] \| PS-11961 \| Toluene, m-fluoro- \| FT-0628938 \| EINECS 206-524-8 \| UNII-F72W445DQ0 \| 1-Fluoro-3-methylbenzene \| 1-Fl
Specifications & Purity	≥99%
Shipped In	Normal
Product Description	Reaction of 3-fluorotoluene with excesses of methanol has been investigated on the large-pore catalysts and on the medium-pore HZSM-5. 3-Fluorotoluene was used in gas phase selective synthesis of 3-fluorobenzaldehyde. It was used in generation of tolyl cations by chemical ionization in mass spectrometry.

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	Fluorobenzenes
Alternative Parents	Toluenes Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms 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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (1 Activities)

Discover Target: ACHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504751851
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751851
IUPAC Name	1-fluoro-3-methylbenzene
INCHI	InChI=1S/C7H7F/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey	BTQZKHUEUDPRST-UHFFFAOYSA-N
Smiles	CC1=CC(=CC=C1)F
Isomeric SMILES	CC1=CC(=CC=C1)F
WGK Germany	2
UN Number	2388
Packing Group	II
Molecular Weight	110.13
Beilstein	1903631
Reaxy-Rn	1903631
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903631&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.

7 results found

Lot Number	Certificate Type	Date	Item
C2418084	Certificate of Analysis	Mar 27, 2024	F123650
D1507018	Certificate of Analysis	Dec 14, 2022	F123650
B2510035	Certificate of Analysis	Jan 15, 2022	F123650
E2304433	Certificate of Analysis	Jan 15, 2022	F123650
I2425195	Certificate of Analysis	Jan 15, 2022	F123650
B2511082	Certificate of Analysis	Jan 15, 2022	F123650
J2417327	Certificate of Analysis	Jan 15, 2022	F123650

Chemical and Physical Properties

Refractive Index	1.4680 - 1.4710
Flash Point(°F)	48.2 °F
Flash Point(°C)	9°C
Boil Point(°C)	115°C
Melt Point(°C)	-87°C
Molecular Weight	110.130 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	110.053 Da
Monoisotopic Mass	110.053 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.800
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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