4,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine

HCID 6430809

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 72058-41-4
Standard SMILES: CC(C)(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIKey: HPFWYRKGZUGGPB-UHFFFAOYSA-N
Molecular formula: C11H18Cl2N4
Average molar mass: 277.19 g/mol
Monoisotopic mass: 276.09085194

Names & identifiers

Preferred name: 4,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine
IUPAC: 4,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine
English name: 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine
Molecular formula: C11H18Cl2N4
Molecular weight: 277.19

Names & synonyms

72058-41-44,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amineEINECS 276-309-1DTXSID80222389RefChem:508025DTXCID30144880276-309-14,6-dichloro-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazin-2-amine(4,6-Dichloro-[1,3,5]triazin-2-yl)-(1,1,3,3-tetramethyl-butyl)-amineSCHEMBL39222SCHEMBL3208803SCHEMBL3208806

Show more names

4,6-Dichloro-2-(1,1,3,3-tetramethylbutylamino)-1,3,5-triazine1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-

AKOS012164379NS000207022,4-dichloro-6-(1,1,3,3-tetramethylbutylamino)-1,3,5-triazine

Database identifiers

CAS: 72058-41-4
PubChem CID: 6430809
DTXSID: DTXSID80222389
EC Number: 276-309-1
Nikkaji: J120.432G

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 242

Physicochemical properties

Melting point: 163 · 163-165 °C
Boiling point: 395 · 395.0±25.0 °C(Predicted)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
vapor pressure: 0.005 Pa · 0.005Pa at 25℃
pka: 1.03 · 1.03±0.10(Predicted)
Water Solubility: 248 μg/L · 248μg/L at 20℃
LogP: 5.18 at · 5.18 at 40℃
Symbol(GHS): 8 · GHS08,GHS05,GHS09
Signal word: Danger
Hazard statements: 318 · H318-H410-H400-H315-H373-H317
Precautionary statements: 273 · P273-P391-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P314-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.7% (3 of 112) of reports.

Danger

H315 (96.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P260, P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 112 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-

REACH registered substance: 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine (EC: 276-309-1)

1,3,5-Triazin-2-amine, 4,6-dichloro-N-(1,1,3,3-tetramethylbutyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (96.4%)

Safety data

Signal word: Danger
Symbol(GHS): GHS08,GHS05,GHS09
Hazard statements: H318-H410-H400-H315-H373-H317
REACH Registrations: Active
Precautionary statements: P273-P391-P501-P280-P305+P351+P338-P310-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P314-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362