CAS 1173019-12-9|p-Nitrophenyl-13C6-hydrazine|对硝基苯-13C6-肼|4-硝基苯-13C6-肼|[4-nitro(1,2,3,4,5,6-13C6)phenyl]hydrazine|4-Nitrophenyl-13C6-hydrazine|[4-nitro(1,2,...

Molecular Formula

C₆H₇N₃O₂

Molecular Mass

159.09460903

Exact Mass

159.07395551

InChI

InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2/i1+1,2+1,3+1,4+1,5+1,6+1

InChIKey

KMVPXBDOWDXXEN-IDEBNGHGSA-N

Canonic Smiles

NN[13c]1[13cH][13cH][13c]([13cH][13cH]1)[N+](=O)[O-]

Isomeric Smiles

[13cH]1[13cH][13c]([13cH][13cH][13c]1NN)[N+](=O)[O-]

JChem

Acid pKa

18.42573

H Acceptors

H Donor

LogD (pH = 5.5)

1.1623845

LogD (pH = 7.4)

1.3027383

Log P

1.3048726

Molar Refractivity

43.0894

Polarizability

14.791496

Polar Surface Area

83.87

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

Synonyms

对硝基苯-13C6-肼p-Nitrophenyl-13C6-hydrazine4-硝基苯-13C6-肼4-Nitrophenyl-13C6-hydrazine

IUPAC name

[4-nitro(1,2,3,4,5,6-¹³C₆)phenyl]hydrazine

IUPAC Traditional name

[4-nitro(1,2,3,4,5,6-¹³C₆)phenyl]hydrazine

MDL Number

CAS Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

99 atom % 13C

Purity

97% (CP)

Empirical Formula (Hill Notation)

13C6H7N3O2

Mol. Weight

mol wt 159.04 by atom % calculation

UN Number

3376

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

GHS Signal Word

Danger

GHS Hazard statements

H302-H315-H319-H334-H335

GHS Precautionary statements

P261-P305+P351+P338-P342+P311

Hazard Class

4.1

Packing Group

European Hazard Symbols

Flammable (F)

Harmful (Xn)

Safety Statements

16-26-36/37/39

MSDS Link

Download link

RID/ADR

UN 3376 4.1/PG 1

Risk Statements

5-11-22-36/37/38-43

German water hazard class

Physical Property

Mass Shift

M+6

Melting Point

156 °C (dec.)

No Data Available

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No Data Available

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Sigma Aldrich

704385

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

对硝基苯-13C6-肼p-Nitrophenyl-13C6-hydrazine4-硝基苯-13C6-肼4-Nitrophenyl-13C6-hydrazine

IUPAC name

[4-nitro(1,2,3,4,5,6-¹³C₆)phenyl]hydrazine

IUPAC Traditional name

[4-nitro(1,2,3,4,5,6-¹³C₆)phenyl]hydrazine

MDL Number

CAS Number

PubChem CID

PubChem SID

Product Information

Isotopic Purity

99 atom % 13C

Purity

97% (CP)

Empirical Formula (Hill Notation)

13C6H7N3O2

Mol. Weight

mol wt 159.04 by atom % calculation

Safety Information

Physical Property

Mass Shift

M+6

Melting Point

156 °C (dec.)

Sigma Aldrich

704385

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

Molecule

ID:136196