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1,3,5-Triazine

1,3,5-Triazine structure

CAS No:
290-87-9
Formula:
C3H3N3
Chemical Name:
1,3,5-Triazine
Synonyms:
1,3,5-Triazine;s-Triazine;Cyanidine;Triazine;sym-Triazine;Vedita 250;NSC 56189
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

White crystal

1,3,5-triazine is a triazine and a member of 1,3,5-triazines.

1,3,5-Triazine Basic Attributes

Molecular Weight：

81.08

Exact Mass：

81.08

EC Number：

206-028-1

UNII：

8B5F4CM81E

NSC Number：

56189

DSSTox ID：

DTXSID7052785

HScode：

2933699090

Characteristics

PSA：

38.7

XLogP3：

Appearance：

White crystalline solid

Density：

0.9418 g/cm³ @ Temp: 20 °C

Melting Point：

86 °C

Boiling Point：

114 °C

Flash Point：

31.1±11.7 °C

Refractive Index：

1.506

Storage Conditions：

2-8ºC

Vapor Pressure：

0.00341mmHg at 25°C

OH：

1.45e-13 cm3/molecule*sec

Safety Information

Packing level：

Ⅱ

Hazard category：

6.1

Transport codes：

2928

wgk germany：

hazard class code：

6.1,8

safety instructions：

S22-S24/25-S39-S26

RTECS Number：

XY2957000

Marks：

Xn:Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335

Drug Information

MeSH Entry Terms：

1-benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, chloride

1,3,5-Triazine Use and Manufacturing

1,3,5-Triazine is a reagent in oxidation reactions, in synthesis of heterocycles. Triazine derivatives are used as herbicides, pharmaceuticals, complexation agents, peptidomimetic building blocks, and dyes.

Computed Properties

Molecular Weight:81.08
Hydrogen Bond Acceptor Count:3
Exact Mass:81.032697108
Monoisotopic Mass:81.032697108
Topological Polar Surface Area:38.7
Heavy Atom Count:6
Complexity:21.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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