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4,6-dichloro-N,N-diethyl-1,3,5-triazin-2-amine

HCID 74405
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
1722-19-6
Standard SMILES
CCN(CC)c1nc(Cl)nc(Cl)n1
InChIKey
HYWCPNMPNFJCMD-UHFFFAOYSA-N
Molecular formula
C7H10Cl2N4
Average molar mass
221.08 g/mol
Monoisotopic mass
220.0282517

Names & identifiers

Preferred name
4,6-dichloro-N,N-diethyl-1,3,5-triazin-2-amine
IUPAC
4,6-dichloro-N,N-diethyl-1,3,5-triazin-2-amine
English name
2-(N,N-DIETHYLAMINO)-4,6-DICHLOROTRIAZINE
Molecular formula
C7H10Cl2N4
Molecular weight
221.09

Names & synonyms

4,6-Dichloro-N,N-diethyl-1,3,5-triazin-2-amine1722-19-6EINECS 217-021-8RefChem:96634217-021-82-(N,N-DIETHYLAMINO)-4,6-DICHLOROTRIAZINE1,3,5-Triazin-2-amine, 4,6-dichloro-N,N-diethyl-MFCD000804732,4-dichloro-6-diethylamino-1,3,5-triazineSCHEMBL2494819DTXSID60938097STK764244
Show more names
SALOR-INT L118281-1EA2-(N,N-Diethylamino0-4,6-dichlorotriazine(4,6-dichloro-s-triazin-2-yl)-diethyl-amine
AKOS000565419ST4061353NS00048391EN300-65826G28764(4,6-dichloro(1,3,5-triazin-2-yl))diethylamineSR-01000451887SR-01000451887-1

Database identifiers

CAS
1722-19-6
PubChem CID
74405
DTXSID
DTXSID60938097
EC Number
217-021-8
Nikkaji
J33.210K

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
41.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
143

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP2.17

Physicochemical properties

Melting point
79 · 79-80 °C
Boiling point
102 · 102-104 °C(Press: 0.8 Torr)
Density
1.348 · 1.348±0.06 g/cm3(Predicted)
pka
0.05 · 0.05±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
335 · H335-H312-H315-H332-H302-H319
Precautionary statements
261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H335-H312-H315-H332-H302-H319
Precautionary statements
P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Upstream & downstream products

Upstream raw materials

DiethylamineCyanuric chloride

Suppliers3 total

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]

Related reactions

3 records
New reaction record
HRID 1123893 reaction equation
HRID 1123893As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1590955 reaction equation
HRID 1590955As productuspto-grants-1993_04
HRID 1590956 reaction equation
HRID 1590956As reactantuspto-grants-1993_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes