2-Amino-4,6-dichloro-1,3,5-triazine - CAS 933-20-0

Catalog:	BB040849
Product Name:	2-Amino-4,6-dichloro-1,3,5-triazine
CAS:	933-20-0
Synonyms:	4,6-dichloro-1,3,5-triazin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	4,6-dichloro-1,3,5-triazin-2-amine
Description:	An aromatic intermediate compound useful for the preparation of substituted melamine, ammelides, and ammelines.
Molecular Weight:	164.98
Molecular Formula:	C3H2Cl2N4
Canonical SMILES:	C1(=NC(=NC(=N1)Cl)Cl)N
InChI:	InChI=1S/C3H2Cl2N4/c4-1-7-2(5)9-3(6)8-1/h(H2,6,7,8,9)
InChI Key:	MCLXKFUCPVGZEN-UHFFFAOYSA-N
Boiling Point:	428.8 ℃ at 760 mmHg
Density:	1.731 g/cm³
Appearance:	White crystalline solid
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00078331
LogP:	1.34180

Publication Number	Title	Priority Date
US-2016075720-A1	Mk2 inhibitors and uses thereof	20140917
WO-2015044941-A1	A base stable semipermeable membrane and methods thereof	20130929
US-2015080393-A1	Spirocyclic compounds as tryptophan hydroxylase inhibitors	20130906
US-2016096836-A1	Spirocyclic compounds as tryptophan hydroxylase inhibitors	20130906
US-9199994-B2	Spirocyclic compounds as tryptophan hydroxylase inhibitors	20130906

PMID	Publication Date	Title	Journal
20658209	20110101	Immobilization of phenylalanine dehydrogenase and its application in flow-injection analysis system for determination of plasma phenylalanine	Applied biochemistry and biotechnology
17184837	20070301	Biocidal efficacy, biofilm-controlling function, and controlled release effect of chloromelamine-based bioresponsive fibrous materials	Biomaterials
11982372	20020508	Duplex oligomers defined via covalent casting of a one-dimensional hydrogen-bonding motif	Journal of the American Chemical Society
11493052	20010815	High-pressure bulk synthesis of crystalline C(6)N(9)H(3).HCl: a novel c(3)n(4) graphitic derivative	Journal of the American Chemical Society

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Triazines

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GHS Hazard Statement:	H302 (97.5%): 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

Complexity:	89.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.9656515
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.9656515
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5