(2S)-N'-Nitrosonornicotine

Modify Date: 2024-01-06 11:05:34

(2S)-N'-Nitrosonornicotine Structure
(2S)-N'-Nitrosonornicotine structure
Common Name (2S)-N'-Nitrosonornicotine
CAS Number 16543-55-8 Molecular Weight 177.20300
Density 1.28g/cm3 Boiling Point 154ºC at 0.2 MM HG
Molecular Formula C9H11N3O Melting Point 47ºC
MSDS N/A Flash Point 177.3ºC

 Names

Name n'-nitrosonornicotine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.28g/cm3
Boiling Point 154ºC at 0.2 MM HG
Melting Point 47ºC
Molecular Formula C9H11N3O
Molecular Weight 177.20300
Flash Point 177.3ºC
Exact Mass 177.09000
PSA 45.56000
LogP 1.83780
Index of Refraction 1.642

 MSDS


Section 1. Chemical Product and Company Identification
N'-Nitrosonornicotine
Common Name/
Trade Name
N'-Nitrosonornicotine

Section 3. Hazards Identification
Potential Acute Health Effects Hazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of
inhalation.
Potential Chronic HealthCARCINOGENIC EFFECTS: Classified 2B (Possible for human.) by IARC.
EffectsMUTAGENIC EFFECTS: Mutagenic for mammalian somatic cells. Mutagenic for bacteria and/or yeast.
TERATOGENIC EFFECTS: Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure is not known to aggravate medical condition.

Section 4. First Aid Measures
Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at
least 15 minutes. Get medical attention if irritation occurs.
Skin ContactWash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.
Serious Skin ContactNot available.
InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get
medical attention.
Serious InhalationNot available.
IngestionDo NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an
unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
clothing such as a collar, tie, belt or waistband.
Serious IngestionNot available.

Section 5. Fire and Explosion Data
Flammability of the Product May be combustible at high temperature.
Auto-Ignition Temperature Not available.
Flash PointsNot available.
Flammable LimitsNot available.
These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
Products of Combustion
Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
Various Substances
Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
of Various SubstancesRisks of explosion of the product in presence of static discharge: Not available.
Fire Fighting MediaSMALL FIRE: Use DRY chemical powder.
and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet.
Special Remarks onNot available.
Fire Hazards
Special Remarks on Explosion Not available.
Hazards
N'-Nitrosonornicotine

Section 6. Accidental Release Measures
Small SpillUse appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by
spreading water on the contaminated surface and dispose of according to local and regional authority
requirements.
Large SpillUse a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
on the contaminated surface and allow to evacuate through the sanitary system.

Section 7. Handling and Storage
PrecautionsKeep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
breathe dust. Wear suitable protective clothing. If you feel unwell, seek medical attention and show the label
when possible. Keep away from incompatibles such as oxidizing agents.
StorageKeep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 0°C (32°F).
Freeze.

Section 8. Exposure Controls/Personal Protection
Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal ProtectionSafety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
a Large Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist
BEFORE handling this product.
Exposure LimitsNot available.

Section 9. Physical and Chemical Properties
Physical state and appearance Solid.OdorNot available.
Not available.
Taste
Molecular Weight177.2 g/mole
Yellow. (Light.)
Color
pH (1% soln/water)Not available.
Boiling PointNot available.
Melting Point43°C (109.4°F) - 45 C.
Critical TemperatureNot available.
Specific GravityNot available.
Not applicable.
Vapor Pressure
Vapor DensityNot available.
Not available.
Volatility
Odor ThresholdNot available.
Water/Oil Dist. Coeff.Not available.
Ionicity (in Water)Not available.
Dispersion PropertiesNot available.
SolubilityNot available.
N'-Nitrosonornicotine

Section 10. Stability and Reactivity Data
The product is stable.
Stability
Instability TemperatureNot available.
Excess heat, incompatible materials
Conditions of Instability
Reactive with oxidizing agents.
Incompatibility with various
substances
CorrosivityNot available.
Special Remarks onNot available.
Reactivity
Special Remarks onNot available.
Corrosivity
PolymerizationWill not occur.

Section 11. Toxicological Information
Routes of EntryInhalation. Ingestion.
Toxicity to AnimalsLD50: Not available.
LC50: Not available.
Chronic Effects on Humans CARCINOGENIC EFFECTS: Classified 2B (Possible for human.) by IARC.
MUTAGENIC EFFECTS: Mutagenic for mammalian somatic cells. Mutagenic for bacteria and/or yeast.
Other Toxic Effects onHazardous in case of ingestion.
HumansSlightly hazardous in case of skin contact (irritant), of inhalation.
Special Remarks onNot available.
Toxicity to Animals
Special Remarks onMay cause cancer.
Chronic Effects on Humans May affect genetic material (mutagenic).
Special Remarks on otherAcute Potential Health Effects:
Toxic Effects on HumansSkin: Causes skin irritation.
Eyes: Causes eye irritation.
Inhalation: Can cause respiratory tract irritation.
Ingestion: No acute health effects are known at this time.
Chronic Potential Health Effects:
Ingestion: Repeated or prolonged ingestion may cause cancer. It may affect the liver.

Section 12. Ecological Information
EcotoxicityNot available.
Not available.
BOD5 and COD
Possibly hazardous short term degradation products are not likely. However, long term degradation products may
Products of Biodegradation
arise.
Toxicity of the ProductsThe product itself and its products of degradation are not toxic.
of Biodegradation
Special Remarks on theNot available.
Products of Biodegradation
N'-Nitrosonornicotine

Section 13. Disposal Considerations
Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental
control regulations.

Section 14. Transport Information
DOT ClassificationNot a DOT controlled material (United States).
Not applicable.
Identification
Not applicable.
Special Provisions for
Transport
DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
California prop. 65: This product contains the following ingredients for which the State of California has found to
Federal and State
cause cancer, birth defects or other reproductive harm, which would require a warning under the statute:
Regulations
N'-Nitrosonornicotine
California prop. 65 (no significant risk level): N'-Nitrosonornicotine: 0.0005 mg/day (value)
California prop. 65: This product contains the following ingredients for which the State of California has found to
cause cancer which would require a warning under the statute: N'-Nitrosonornicotine
Illinois toxic substances disclosure to employee act: N'-Nitrosonornicotine
Pennsylvania RTK: N'-Nitrosonornicotine
Minnesota: N'-Nitrosonornicotine
Massachusetts RTK: N'-Nitrosonornicotine
New Jersey: N'-Nitrosonornicotine
New Jersey spill list: N'-Nitrosonornicotine
California Director's List of Hazardous Substances: N'-Nitrosonornicotine
SARA 313 toxic chemical notification and release reporting: N'-Nitrosonornicotine
CaliforniaCalifornia prop. 65: This product contains the following ingredients for which the State of California has found
Proposition 65to cause cancer which would require a warning under the statute: N'-Nitrosonornicotine
Warnings
Other RegulationsNot available.
WHMIS (Canada) CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
Other Classifications
DSCL (EEC)R40- Limited evidence of aS36/37- Wear suitable protective clothing and
carcinogenic effect.gloves.
Health Hazard
HMIS (U.S.A.)2 National Fire Protection
1 Flammability
1 Association (U.S.A.)
Fire Hazard
2 0 Reactivity
Health
Reactivity
0
Specific hazard
Personal Protection
E
WHMIS (Canada)
(Pictograms)
N'-Nitrosonornicotine
DSCL (Europe)
(Pictograms)
TDG (Canada)
(Pictograms)
ADR (Europe)
(Pictograms)
Protective Equipment
Gloves.
Lab coat.
Dust respirator. Be sure to use an
approved/certified respirator or
equivalent. Wear appropriate respirator
when ventilation is inadequate.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QS6550000
CHEMICAL NAME :
Nicotine, 1'-demethyl-1'-nitroso-
CAS REGISTRY NUMBER :
16543-55-8
LAST UPDATED :
199606
DATA ITEMS CITED :
34
MOLECULAR FORMULA :
C9-H11-N3-O
MOLECULAR WEIGHT :
177.23
WISWESSER LINE NOTATION :
T6NJ C- BT5NTJ ANO

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2552 mg/kg/36W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Gastrointestinal - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
880 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
567 mg/kg/22W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2880 mg/kg/69W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
880 mg/kg/7W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
2694 mg/kg/31W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
1422 mg/kg/25W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
1288 mg/kg/6W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
2836 mg/kg/25W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3300 mg/kg/41W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
2850 mg/kg/25W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
3100 mg/kg/25W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
1290 mg/kg/6W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1640 mg/kg/14W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Brain and Coverings - tumors Sense Organs and Special Senses (Olfaction) - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
1418 mg/kg/25W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3160 mg/kg/20W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg/30W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
354 mg/kg/7W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
926 mg/kg/38W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
TYPE OF TEST :
DNA adduct
TYPE OF TEST :
Micronucleus test

MUTATION DATA

TYPE OF TEST :
Host-mediated assay
TEST SYSTEM :
Rodent - mouse Bacteria - Escherichia coli
DOSE/DURATION :
48 mg/kg
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 15,263,1994 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 17,281,1978 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 17,281,1978 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FRANCE;Carcinogen JAN 1993

 Safety Information

RIDADR UN 2810
Packaging Group III
Hazard Class 6.1(b)
HS Code 2933990090

 Synthetic Route

~%

(2S)-N'-Nitrosonornicotine Structure

(2S)-N'-Nitroso...

CAS#:16543-55-8

Literature: v. Braun; Weissbach Chemische Berichte, 1930 , vol. 63, p. 2018,2026

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

N-NITROSONORNICOTINE
nitrosonornicotine
NNN