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2-Fluoro-4-methylaniline - 99%, high purity , CAS No.452-80-2

COA

Grade & Purity:

≥99%

Cas Number: 452-80-2
Molecular Weight: 125.14
Beilstein Registry Number: 2637578
MDL number: MFCD00040975
PubChem CID: 67984
PubChem SID: 488184057

In stock

Item Number

F120702

Grouped product items
SKU	Size	Availability	Price
F120702-1g	1g	3	$23.90
F120702-5g	5g	3	$91.90
F120702-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90
F120702-25g	25g	4	$267.90
F120702-100g	100g	3	$964.90
F120702-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$4,339.90

View related series

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

Basic Description

Synonyms	Benzenamine, 2-fluoro-4-methyl- (9CI) \| SCHEMBL17613 \| SB40474 \| WLN: ZR BF D1 \| PS-9198 \| NSC 147489 \| DTXSID40196431 \| 2-fluoro-4-methyaniline \| Z6EGC62G32 \| (2-fluoro-4-methylphenyl)amine \| FT-0602407 \| 2-Fluoro-4-methylaniline, 99% \| 4-methyl-2-fluoro
Specifications & Purity	≥99%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	Rat liver microsomal metabolism of 2-fluoro-4-methylaniline was studied by HPLC. 2-Fluoro-4-methylaniline was used in the preparation of 6-chloro-5-fluoroindole via Leimgruber-Batcho reaction. It was also used in the preparation of an (S)-amino alcohol, 2-amino-3-(2-fluoro-4-methylphenyl)-propan-1-ol.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Aminotoluenes
Alternative Parents	Aniline and substituted anilines Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminotoluene - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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	488184057
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184057
IUPAC Name	2-fluoro-4-methylaniline
INCHI	InChI=1S/C7H8FN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey	ZQEXBVHABAJPHJ-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1)N)F
Isomeric SMILES	CC1=CC(=C(C=C1)N)F
WGK Germany	3
RTECS	XU6650000
Molecular Weight	125.14
Beilstein	2637578
Reaxy-Rn	2637578
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2637578&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
B1320026	Certificate of Analysis	Sep 10, 2024	F120702
G2314113	Certificate of Analysis	Jul 22, 2023	F120702
I2203327	Certificate of Analysis	Jun 29, 2022	F120702
I2203219	Certificate of Analysis	Jun 29, 2022	F120702
L2406157	Certificate of Analysis	Jun 29, 2022	F120702
D1824127	Certificate of Analysis	Feb 16, 2022	F120702
D2313625	Certificate of Analysis	Dec 04, 2021	F120702

Chemical and Physical Properties

Solubility	Not miscible in water.
Sensitivity	Air Sensitive
Refractive Index	1.533
Flash Point(°F)	174.2 °F
Flash Point(°C)	79°(174°F)
Boil Point(°C)	70-71°/7mmHg
Melt Point(°C)	3°C(lit.)
Molecular Weight	125.140 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	125.064 Da
Monoisotopic Mass	125.064 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.900
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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