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3-(1H-Pyrazol-4-yl)aniline - 95%, high purity , CAS No.1170691-45-8

COA

Grade & Purity:

≥95%

Cas Number: 1170691-45-8
Molecular Weight: 159.18
PubChem CID: 63338282

In stock

Item Number

H586485

Grouped product items
SKU	Size	Availability	Price
H586485-100mg	100mg	3	$40.90
H586485-250mg	250mg	3	$83.90
H586485-1g	1g	2	$299.90
H586485-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,343.90

Basic Description

Synonyms	3-(4-Pyrazolyl)aniline \| VWB69145 \| A1-20411 \| FT-0769611 \| SY147622 \| Z1124713455 \| 3-(1H-pyrazol-4-yl)-phenylamine \| EN300-120388 \| MSVASNFGSQCRCN-UHFFFAOYSA-N \| AKOS012642732 \| D80766 \| 1170691-45-8 \| SCHEMBL980068 \| 3-(1H-pyrazol-4-yl)aniline \| MFCD18
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Aniline and substituted anilines Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

IUPAC Name	3-(1H-pyrazol-4-yl)aniline
INCHI	InChI=1S/C9H9N3/c10-9-3-1-2-7(4-9)8-5-11-12-6-8/h1-6H,10H2,(H,11,12)
InChIKey	MSVASNFGSQCRCN-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)N)C2=CNN=C2
Isomeric SMILES	C1=CC(=CC(=C1)N)C2=CNN=C2
Molecular Weight	159.18
Reaxy-Rn	20990726
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20990726&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
I2313410	Certificate of Analysis	Aug 25, 2023	H586485
I2313662	Certificate of Analysis	Aug 25, 2023	H586485
E2408068	Certificate of Analysis	Aug 25, 2023	H586485
I2313436	Certificate of Analysis	Aug 25, 2023	H586485
I2313473	Certificate of Analysis	Aug 25, 2023	H586485

Chemical and Physical Properties

Molecular Weight	159.190 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	159.08 Da
Monoisotopic Mass	159.08 Da
Topological Polar Surface Area	54.700 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	149.000
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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