CAS 37011-84-0|(2H3)-1,3,5-triazine|1,3,5-Triazine-d3|1,3,5-三嗪-d3|(2H3)-1,3,5-triazine

Molecular Formula

C₃H₃N₃

Molecular Mass

81.07602

Exact Mass

81.03269711

InChI

InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3H

InChIKey

JIHQDMXYYFUGFV-UHFFFAOYSA-N

Canonic Smiles

n1cncnc1

Isomeric Smiles

c1ncncn1

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.14426799

LogD (pH = 7.4)

-0.14426798

Log P

-0.14426798

Molar Refractivity

22.5216

Polarizability

7.703063

Polar Surface Area

38.67

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

1,3,5-Triazine-d31,3,5-三嗪-d3

IUPAC Traditional name

(²H₃)-1,3,5-triazine

IUPAC name

(²H₃)-1,3,5-triazine

MDL Number

CAS Number

PubChem SID

PubChem CID

Product Information

Isotopic Purity

98 atom % D

Empirical Formula (Hill Notation)

C3D3N3

Safety Information

GHS Hazard statements

H302-H315-H318-H335

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

dust mask type N95 (US), Eyeshields, Gloves

Harmful (Xn)

22-37/38-41

26-39

P261-P280-P305+P351+P338

Danger

Download link

Physical Property

M+3

77-83 °C

No Data Available

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No Data Available

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Sigma Aldrich

613711

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

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Commercial Catalog

Academic Data

Synonyms

1,3,5-Triazine-d31,3,5-三嗪-d3

IUPAC Traditional name

(²H₃)-1,3,5-triazine

IUPAC name

(²H₃)-1,3,5-triazine

MDL Number

CAS Number

PubChem SID

PubChem CID

613711

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Product Information

Isotopic Purity

98 atom % D

Empirical Formula (Hill Notation)

C3D3N3

Safety Information

GHS Hazard statements

H302-H315-H318-H335

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

dust mask type N95 (US), Eyeshields, Gloves

Harmful (Xn)

22-37/38-41

26-39

P261-P280-P305+P351+P338

Danger

Download link

Physical Property

M+3

77-83 °C

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Molecule

ID:134971