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CAS

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16543-55-8

N'-NITROSONORNICOTINE is a nicotine alkaloid derived from tobacco, which exists in the form of white crystalline flakes or yellow oil that solidifies upon cooling. It has been identified in certain tobacco varieties, such as Japanese cigarette tobaccos and Kirsu tobacco, where it is found in fresh leaves that have been dried without fermentation. The compound has been isolated at levels of 1.1 and 1.8 ppm from these sources, respectively. It is also known to be a risk factor for human cancer.

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  • 16543-55-8 Structure

  • Basic information

    1. Product Name: N'-NITROSONORNICOTINE
    2. Synonyms: 1’-demethyl-1’-nitroso-nicotin;1’-desmethyl-1’-nitrosonicotine;1’-nitroso-1’-demethyl-nicotin;1’-nitroso-1’-demethylnicotine;1’-nitrosonornicotine;1-nitroso-2-(3-pyridyl)pyrrolidine;nitrosonornicotine;NNN
    3. CAS NO:16543-55-8
    4. Molecular Formula: C9H11N3O
    5. Molecular Weight: 177.2
    6. EINECS: N/A
    7. Product Categories: Aromatics;Chiral Reagents;Heterocycles;Nicotine Derivatives
    8. Mol File: 16543-55-8.mol

  • Chemical Properties

    1. Melting Point: 47.1°C
    2. Boiling Point: 309.13°C (rough estimate)
    3. Flash Point: 177.3°C
    4. Appearance: white crystals
    5. Density: 1.1669 (rough estimate)
    6. Refractive Index: 1.6500 (estimate)
    7. Storage Temp.: Hygroscopic, Refrigerator, Under Inert Atmosphere
    8. Solubility: N/A
    9. PKA: 5.16±0.12(Predicted)
    10. Stability: Stable, but air and light sensitive. Incompatible with oxidizing agents.
    11. CAS DataBase Reference: N'-NITROSONORNICOTINE(CAS DataBase Reference)
    12. NIST Chemistry Reference: N'-NITROSONORNICOTINE(16543-55-8)
    13. EPA Substance Registry System: N'-NITROSONORNICOTINE(16543-55-8)

  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 36/37/38-40
    3. Safety Statements: 26-36
    4. RIDADR: 2810
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: 6.1(b)
    8. PackingGroup: III
    9. Hazardous Substances Data: 16543-55-8(Hazardous Substances Data)

16543-55-8 Usage

Uses

Used in Tobacco Industry:
N'-NITROSONORNICOTINE is used as a tobacco alkaloid for its presence in various tobacco products. It contributes to the overall composition and characteristics of the tobacco, although it is recognized as a potential carcinogenic compound.
Used in Cancer Research:
N'-NITROSONORNICOTINE is utilized as a risk factor in human cancer research to study its effects on cancer development and progression. Understanding the role of N'-NITROSONORNICOTINE in cancer can help in the development of preventive measures and treatment strategies.
Used in Chemical Analysis:
As a chemical compound with distinct properties, N'-NITROSONORNICOTINE can be used in chemical analysis and identification processes. Its white crystalline or yellow oil form can be analyzed for various purposes, such as determining its concentration in tobacco products or studying its chemical interactions with other substances.

Air & Water Reactions

Insoluble in water.

Reactivity Profile

A nitrated amine, nicotine derivative. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Health Hazard

ACUTE/CHRONIC HAZARDS: When heated to decomposition it may emit toxic and hazardous fumes of NOx and COx.

Fire Hazard

Flash point data for N'-NITROSONORNICOTINE are not available; however, N'-NITROSONORNICOTINE is probably combustible.

Safety Profile

Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Low toxicity by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.

Carcinogenicity

N-Nitrosonornicotine is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.

References

Bharadwaj et al., Gann., 66, 585 (1975)

Check Digit Verification of cas no

The CAS Registry Mumber 16543-55-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,5,4 and 3 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 16543-55:
(7*1)+(6*6)+(5*5)+(4*4)+(3*3)+(2*5)+(1*5)=108
108 % 10 = 8
So 16543-55-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2/t9-/m0/s1

16543-55-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name N'-NITROSONORNICOTINE

1.2 Other means of identification

Product number -
Other names N-NITROSONORNICOTINE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:16543-55-8 SDS

16543-55-8Upstream product

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