2,4-Dichloro-1,3,5-triazine - CAS 2831-66-5

Catalog:	BB019810
Product Name:	2,4-Dichloro-1,3,5-triazine
CAS:	2831-66-5
Synonyms:	2,4-dichloro-1,3,5-triazine; 2,4-dichloro-1,3,5-triazine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2,4-dichloro-1,3,5-triazine
Description:	Intermediate in the preparation of Bromhexine (B678600) impurities.
Molecular Weight:	149.97
Molecular Formula:	C3HCl2N3
Canonical SMILES:	C1=NC(=NC(=N1)Cl)Cl
InChI:	InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
InChI Key:	OMRXVBREYFZQHU-UHFFFAOYSA-N
Boiling Point:	329.4 °C at 760 mmHg
Density:	1.612 g/cm³
Solubility:	Other solvents(Soluble) : Methanol
Appearance:	White to yellow powder or crystalline powder
MDL:	MFCD04115347
LogP:	1.17840

Publication Number	Title	Priority Date
CN-113200931-A	Reactive light-sweat-resistant composite fastness improver and preparation method thereof	20210429
CN-113149362-A	Zero-discharge treatment process and system for printing and dyeing wastewater	20210219
CN-112609461-A	Cellulose-based goat milk protein fiber and preparation method thereof	20201217
CN-112341838-A	Reactive dye, reactive dye ink, and preparation method and application thereof	20201124
CN-112481151-A	Biological bacterium agent for treating paint debonding wastewater and debonding treatment process thereof	20201014

PMID	Publication Date	Title	Journal
21989982	20120601	HPLC enantioresolution of (R,S)-baclofen using three newly synthesized dichloro-s-triazine reagents having amines and five others having amino acids as chiral auxiliaries	Biomedical chromatography : BMC
21246226	20120401	Application of cyanuric chloride-based six new chiral derivatizing reagents having amino acids and amino acid amides as chiral auxiliaries for enantioresolution of proteinogenic amino acids by reversed-phase high-performance liquid chromatography	Amino acids
21293889	20120401	Application of amino acid amides as chiral auxiliaries in difluoro dinitro benzene and cyanuric chloride moieties for high-performance liquid-chromatographic enantioseparation of selenomethionine and its mixture with methionine and cysteine	Amino acids
21128690	20110107	High-load, hybrid Si-ROMP reagents	Organic letters
21966347	20110101	Targets in epigenetics: inhibiting the methyl writers of the histone code	Current chemical genomics

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GHS Hazard Statement:	H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	70.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.9547524
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	148.9547524
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9