2-Chlorobenzylamine - CAS 89-97-4

Name: 2-Chlorobenzylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039714
Product Name:	2-Chlorobenzylamine
CAS:	89-97-4
Synonyms:	(2-chlorophenyl)methanamine

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Computed Properties

IUPAC Name:	(2-chlorophenyl)methanamine
Description:	An impurity of Ticlopidine which is believed to inhibit the binding of adenosine 5'-diphosphate (ADP) to its platelet receptor.
Molecular Weight:	141.60
Molecular Formula:	C7H8ClN
Canonical SMILES:	C1=CC=C(C(=C1)CN)Cl
InChI:	InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
InChI Key:	KDDNKZCVYQDGKE-UHFFFAOYSA-N
Boiling Point:	103-104 °C (11 torr)
Purity:	> 95 %
Density:	1.17 g/cm³
Appearance:	2-chlorobenzylamine appears as a colorless liquid with a slight amine odor.
MDL:	MFCD00008108
LogP:	2.49900

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile

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GHS Hazard Statement:	H302 (40.21%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22091073	20110801	N,N'-Bis(2-chloro-benz-yl)-N''-(2,2,2-trichloro-acet-yl)phospho-ric triamide	Acta crystallographica. Section E, Structure reports online
21523017	20110112	N,N'-Bis(2-chloro-benz-yl)-N''-(dichloro-acet-yl)phospho-ric triamide	Acta crystallographica. Section E, Structure reports online
21522764	20101208	2-Amino-4-methyl-pyridinium 6-carb-oxy-pyridine-2-carboxyl-ate methanol monosolvate	Acta crystallographica. Section E, Structure reports online
21522759	20101204	Diphenyl (2-chloro-benzyl-amido)-phosphate	Acta crystallographica. Section E, Structure reports online
21580033	20091216	(E)-4-(2-Chloro-benzyl-ideneamino)-3-(2-chloro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione-(E)-1,5-bis-(2-chloro-benzyl-idene)thio-carbonohydrazide-methanol (1/1/1)	Acta crystallographica. Section E, Structure reports online

Complexity:	85
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.0345270
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.0345270
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4