(1,3,5-Triazine-2,4,6-triyltrinitrilo)hexamethanol

Basic Information

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CAS Number

531-18-0

Molecular Formula

C9H18N6O6

Molecular Weight

306.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

150 ºC

Boiling Point

669°C at 760 mmHg

Refractive Index

1.8120 (estimate)

SMILES

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C(N(CO)C1=NC(=NC(=N1)N(CO)CO)N(CO)CO)O

InChI

InChI=1S/C9H18N6O6/c16-1-13(2-17)7-10-8(14(3-18)4-19)12-9(11-7)15(5-20)6-21/h16-21H,1-6H2

InChIKey

YGCOKJWKWLYHTG-UHFFFAOYSA-N

LogP

-4.010399999999999

Topological Polar Surface Area

169.76999999999998 Å²

Hydrogen Bond Donor/Acceptor

6 / 12

Complexity

223

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

A870817
Resloom M 75
NSC 118741
WLN: T6N CN ENJ B- D- F-/N1Q1Q 3
(s-Triazine-2,6-triyltrinitrilo)hexamethanol
hexamethylol melamine
METHANOL, (1,3,5-TRIAZINE-2,4,6-TRIYLTRINITRILO)HEXAKIS-
531-18-0
1,5-Triazine-2,4,6-triamine, hexakis(hydroxymethyl)-
(s-triazine-2,4,6-triyltrinitrilo)hexamethanol; cilag 61
Hexakis(hydroxymethyl)melamine
2,4,6-Tris(di(hydroxymethyl)amino)-1,3,5-triazine
Methanol, (s-triazine-2,4,6-triyltrinitrilo)hexa-
NS00008584
Methanol, 1,1',1'',1''',1'''',1'''''-(1,3,5-triazine-2,4,6-triyltrinitrilo)hexakis-
DTXSID1020693
((1,3,5-Triazine-2,4,6-triyl)tris(azanetriyl))hexamethanol
Hexa(hydroxymethyl)melamine
s-Triazine,4,6-tris[bis(hydroxymethyl)amino]-
Methanol,4,6-triyltrinitrilo)hexa-
1,1',1'',1''',1'''',1'''''-(1,3,5-TRIAZINE-2,4,6-TRIYLTRINITRILO)HEXAKISMETHANOL
Q27287227
[[4,6-bis[bis(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
NSC118741
HEXAMETHYLOLMELAMINE [MI]
s-Triazine, 2,4,6-tris(bis(hydroxymethyl)amino)-
BRN 0330817
1,3,5-Triazine-2,4,6-triyltrinitrilohexamethanol
SCHEMBL25245
YGCOKJWKWLYHTG-UHFFFAOYSA-N
WLN: T6N CN ENJ BN1Q1Q DN1Q1Q FN1Q1Q

MDL Number

MFCD00417765

Customs Code

2933699090

FAQ

What are the physical and chemical properties of (1,3,5-Triazine-2,4,6-triyltrinitrilo)hexamethanol (CAS: 531-18-0)?

The compound (1,3,5-Triazine-2,4,6-triyltrinitrilo)hexamethanol has a crystalline form. It has a molecular weight of approximately 326.16 g/mol. This compound is insoluble in water but soluble in organic solvents. It is highly reactive due to the presence of nitro groups and can undergo further reactions such as nitration and reduction.

How is (1,3,5-Triazine-2,4,6-triyltrinitrilo)hexamethanol (CAS: 531-18-0) typically synthesized?

(1,3,5-Triazine-2,4,6-triyltrinitrilo)hexamethanol can be synthesized via nitration of 1,3,5-triazine-2,4,6-trianilino hexamethanol. The reaction typically occurs under acidic conditions with nitric acid. The product can be isolated by recrystallization from suitable solvents, and the yield can be controlled by reaction conditions and purity of reagents.

What industries use (1,3,5-Triazine-2,4,6-triyltrinitrilo)hexamethanol (CAS: 531-18-0)?

This compound is utilized in various industries, including pharmaceuticals for its intermediacy in the synthesis of certain drugs, polymers for its use in the production of functional materials, and sensors for its reactivity to specific analytes. It also has applications in the semiconductor industry as a chemical additive in etching processes.

What precautions should be taken when handling (1,3,5-Triazine-2,4,6-triyltrinitrilo)hexamethanol (CAS: 531-18-0)?

When handling (1,3,5-Triazine-2,4,6-triyltrinitrilo)hexamethanol, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The reaction should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up using appropriate solvents, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed handling and storage instructions.