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Ethyl benzimidate hydrochloride - 97.0% (AT), high purity , CAS No.5333-86-8

COA

Grade & Purity:

≥97%(AT)

Cas Number: 5333-86-8
Molecular Weight: 185.65
MDL number: MFCD00043246
PubChem CID: 79249
PubChem SID: 488185700

In stock

Item Number

E170842

Grouped product items
SKU	Size	Availability	Price
E170842-5g	5g	4	$28.90
E170842-10g	10g	1	$44.90
E170842-25g	25g	1	$85.90
E170842-100g	100g	3	$308.90
E170842-500g	500g	1	$1,389.90

Basic Description

Synonyms	Ethyl benzimidate hydrochloride \| MODZVIMSNXSQIH-UHFFFAOYSA-N \| NSC 2354 \| EINECS 226-248-1 \| NSC2354 \| NSC-2354 \| EN300-49167 \| 3-Chloro-3-phenyl-DL-alanine \| Ethyl benzimidate HCl \| Benzimidic acid ethyl ester \| FT-0626164 \| Hexahydrophthalic acid anhyd
Specifications & Purity	≥97%(AT)
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Carboximidic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Carboximidic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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	488185700
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488185700
IUPAC Name	ethyl benzenecarboximidate;hydrochloride
INCHI	InChI=1S/C9H11NO.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7,10H,2H2,1H3;1H
InChIKey	MODZVIMSNXSQIH-UHFFFAOYSA-N
Smiles	CCOC(=N)C1=CC=CC=C1.Cl
Isomeric SMILES	CCOC(=N)C1=CC=CC=C1.Cl
WGK Germany	3
Molecular Weight	185.65
Reaxy-Rn	3697589
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3697589&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2116267	Certificate of Analysis	Jan 15, 2025	E170842
D2116269	Certificate of Analysis	Jan 15, 2025	E170842
D2116271	Certificate of Analysis	Jan 15, 2025	E170842
F2213356	Certificate of Analysis	Feb 17, 2022	E170842
F2214037	Certificate of Analysis	Feb 17, 2022	E170842
F2213398	Certificate of Analysis	Feb 17, 2022	E170842

Chemical and Physical Properties

Solubility	Soluble in water.
Sensitivity	Hygroscopic
Melt Point(°C)	115-125℃
Molecular Weight	185.650 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	185.061 Da
Monoisotopic Mass	185.061 Da
Topological Polar Surface Area	33.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	128.000
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	2

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