4-[(Cyanomethyl)carbamoyl]phenylboronic Acid - CAS 1056636-11-3

Name: 4-[(Cyanomethyl)carbamoyl]phenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001689
Product Name:	4-[(Cyanomethyl)carbamoyl]phenylboronic Acid
CAS:	1056636-11-3
Synonyms:	[4-[(cyanomethylamino)-oxomethyl]phenyl]boronic acid; [4-(cyanomethylcarbamoyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[4-(cyanomethylcarbamoyl)phenyl]boronic acid
Description:	4-[(Cyanomethyl)carbamoyl]phenylboronic Acid (CAS# 1056636-11-3) is a useful research chemical compound.
Molecular Weight:	203.99
Molecular Formula:	C9H9N2O3B
Canonical SMILES:	B(C1=CC=C(C=C1)C(=O)NCC#N)(O)O
InChI:	InChI=1S/C9H9BN2O3/c11-5-6-12-9(13)7-1-3-8(4-2-7)10(14)15/h1-4,14-15H,6H2,(H,12,13)
InChI Key:	XHRYRSBKDZTAEB-UHFFFAOYSA-N
LogP:	-0.98932

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]C9H11O4B
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[163105-90-6]C6H8NO3B
2-Methoxy-3-pyridylboronic Acid
[881302-73-4]C8H7O6B
3,5-Dicarboxyphenylboronic Acid
[937796-06-0]C17H23N2O2B
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
[364044-44-0]C12H10ClO2B
4'-Chloro-4-biphenylboronic Acid
[850623-36-8]C7H4F3NBK
Potassium (4-Cyanophenyl)trifluoroborate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2015274554-A1	N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide hydrochloride salts	20140612
AU-2015274554-B2	N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide hydrochloride salts	20140612
AU-2015274554-B9	N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide hydrochloride salts	20140612
EA-032639-B1	HYDROCHLORIDE SALTS N- (CYANOMETHYL) -4- (2- (4-MORFOLINOPHENYLAMINO) Pyrimidin-4-IL) BENZMIDE	20140612
EP-3154950-A1	N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide hydrochloride salts	20140612

Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.0706223
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	204.0706223
Rotatable Bond Count:	3
Topological Polar Surface Area:	93.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0