CAS 1173023-70-5|1,2,4-Triazole-15N3|1,2,4-三唑-15N3|(1,2,4-15N3)-1H-1,2,4-triazole|(1,2,4-15N3)-1H-1,2,4-triazole

Molecular Formula

C₂H₃N₃

Molecular Mass

72.04554669

Exact Mass

72.02380179

InChI

InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)/i3+1,4+1,5+1

InChIKey

NSPMIYGKQJPBQR-FRSWOAELSA-N

Canonic Smiles

c1[15n]c[15n][15nH]1

Isomeric Smiles

c1[15nH][15n]c[15n]1

JChem

Acid pKa

8.998789

H Acceptors

H Donor

LogD (pH = 5.5)

-0.4096006

LogD (pH = 7.4)

-0.41967624

Log P

-0.40908983

Molar Refractivity

18.9195

Polarizability

6.2979975

Polar Surface Area

41.57

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

1,2,4-Triazole-15N31,2,4-三唑-15N3

IUPAC Traditional name

(1,2,4-¹⁵N₃)-1H-1,2,4-triazole

IUPAC name

(1,2,4-¹⁵N₃)-1H-1,2,4-triazole

CAS Number

MDL Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

98 atom % 15N

Mol. Weight

mol wt 71.99 by atom % calculation

Empirical Formula (Hill Notation)

C2H315N3

Purity

97% (CP)

Personal Protective Equipment

Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Safety Statements

36/37

GHS Precautionary statements

P281-P305+P351+P338

GHS Signal Word

Warning

MSDS Link

Download link

German water hazard class

GHS Hazard statements

H302-H319-H361

Risk Statements

63-22-36

GHS Pictograms

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

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

European Hazard Symbols

Harmful (Xn)

Physical Property

Mass Shift

M+3

Melting Point

119-121 °C(lit.)

Boiling Point

260 °C(lit.)

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Sigma Aldrich

642126

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

1,2,4-Triazole-15N31,2,4-三唑-15N3

IUPAC Traditional name

(1,2,4-¹⁵N₃)-1H-1,2,4-triazole

IUPAC name

(1,2,4-¹⁵N₃)-1H-1,2,4-triazole

CAS Number

MDL Number

PubChem CID

PubChem SID

642126

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 % 15N

Mol. Weight

mol wt 71.99 by atom % calculation

Empirical Formula (Hill Notation)

C2H315N3

Purity

97% (CP)

Safety Information

Physical Property

Mass Shift

M+3

Melting Point

119-121 °C(lit.)

Boiling Point

260 °C(lit.)

Molecule

ID:136115