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3-Bromo-4-(hydroxymethyl)benzonitrile - 98%, high purity , CAS No.90110-98-8

COA

Grade & Purity:

≥98%

Cas Number: 90110-98-8
Molecular Weight: 212.04
PubChem CID: 53424368
PubChem SID: 504771240

In stock

Item Number

B195716

Grouped product items
SKU	Size	Availability	Price
B195716-50mg	50mg	2	$10.90
B195716-250mg	250mg	2	$45.90
B195716-1g	1g	2	$120.90
B195716-5g	5g	2	$548.90
B195716-25g	25g	2	$1,878.90

Basic Description

Synonyms	3-Bromo-4-(hydroxymethyl)benzonitrile \| 90110-98-8 \| 2-BROMO-4-CYANOBENZYL ALCOHOL \| MFCD09907613 \| 2-Bromo-4-cyanobenzylalcohol \| SCHEMBL1232210 \| DTXSID40698485 \| LMKVEJWFFPCGJC-UHFFFAOYSA-N \| 3-Bromo-4-hydroxymethylbenzonitrile \| CS-D0578 \| CL9592 \| AKOS015994848 \| DS-7005 \| SY
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl alcohols
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl alcohols
Alternative Parents	Benzonitriles Bromobenzenes Aryl bromides Nitriles Primary alcohols Organopnictogen compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzonitrile - Benzyl alcohol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carbonitrile - Nitrile - Alcohol - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
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	504771240
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771240
IUPAC Name	3-bromo-4-(hydroxymethyl)benzonitrile
INCHI	InChI=1S/C8H6BrNO/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3,11H,5H2
InChIKey	LMKVEJWFFPCGJC-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C#N)Br)CO
Isomeric SMILES	C1=CC(=C(C=C1C#N)Br)CO
Molecular Weight	212.04
Reaxy-Rn	2640577
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2640577&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.

6 results found

Lot Number	Certificate Type	Date	Item
J2217090	Certificate of Analysis	Jul 27, 2022	B195716
J2217087	Certificate of Analysis	Jul 27, 2022	B195716
J2217089	Certificate of Analysis	Jul 27, 2022	B195716
K2420659	Certificate of Analysis	Jul 27, 2022	B195716
J2217209	Certificate of Analysis	Jul 27, 2022	B195716
J2217222	Certificate of Analysis	Jul 27, 2022	B195716

Chemical and Physical Properties

Molecular Weight	212.040 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	210.963 Da
Monoisotopic Mass	210.963 Da
Topological Polar Surface Area	44.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	174.000
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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