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| CAS No.: | 930-55-2 | |
|---|---|---|
| Name: | N-NITROSOPYRROLIDINE | |
| Molecular Structure: | ||
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| Formula: | C4H8 N2 O | |
| Molecular Weight: | 100.12 | |
| Synonyms: | 1-Nitrosopyrrolidine;N-Nitrosopyrrolidine;NPYR;NSC 18797; | |
| EINECS: | 213-218-8 | |
| Density: | 1.24g/cm3 | |
| Boiling Point: | 214°Cat760mmHg | |
| Flash Point: | 83.3°C | |
| Appearance: | Light-Yellow Oil | |
| Hazard Symbols: |
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| Risk Codes: | 40 | |
| Safety: | Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Poison by ingestion and subcutaneous routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS. | |
Analytical Methods: | For occupational chemical analysis use OSHA: #27 or NIOSH: Nitrosamines 2522. |
|
| PSA: | 32.67000 | |
| LogP: | 0.70150 | |
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| Conditions | Yield |
|---|---|
| With sulfuric acid; silica gel; sodium nitrite In dichloromethane at 20℃; for 0.166667h; | 98% |
| With cross-linked polyvinylpyrrolidone*N2O4; dinitrogen tetraoxide In dichloromethane at 20℃; | 98% |
| With toluene-4-sulfonic acid; sodium nitrite In dichloromethane at 20℃; for 0.0833333h; chemoselective reaction; | 97% |
- 73722-93-7
C6H12NO(1+)*CH3O4S(1-)
A
- 123-75-1
pyrrolidine
B
- 3760-54-1
1-pyrrolidinecarboxaldehyde
C
- 930-55-2
N-nitrosopyrrolidine
| Conditions | Yield |
|---|---|
| With sodium nitrite In water | A n/a B 70% C n/a |
| Conditions | Yield |
|---|---|
| In acetonitrile at 70℃; for 168h; | A 62% B n/a |
| Conditions | Yield |
|---|---|
| With sodium nitroprusside at 20℃; Cyclization; | A 50% B n/a |
| Conditions | Yield |
|---|---|
| With trifluoroamine oxide at -15℃; for 1.5h; | A 20% B 30% |
| Conditions | Yield |
|---|---|
| With dinitrogen tetraoxide In tetrachloromethane 40 - 50 deg C, 20 deg C, 15 min; | 30% |
| With nitric acid; acetic anhydride 1.) 50 deg C, 30 min, 2.) room temp., 16 h; | 13% |
- 340728-86-1, 960231-74-7
O2-chloromethyl 1-(pyrrolidin-1-yl)diazen-1-ium-1,2-diolate
- 742081-66-9
1-hydroxy-[3-(2-hydroxyethyl)-3-methyl]-1-triazene 2-oxide sodium salt
A
- 930-55-2
N-nitrosopyrrolidine
B
- 26921-68-6
N-(2-hydroxyethyl)-N-methyl-N-nitrosamine
| Conditions | Yield |
|---|---|
| With sodium carbonate In acetonitrile at 0 - 20℃; for 7h; | A 30% B 20% |
- 62453-13-8
Benzyl-[1-pyrrolidin-1-yl-meth-(E)-ylidene]-amine
- 64-19-7
acetic acid
A
- 3760-54-1
1-pyrrolidinecarboxaldehyde
B
- 930-55-2
N-nitrosopyrrolidine
C
- 140-11-4
Benzyl acetate
D
- 104-57-4
benzyl formate
E
- 935-05-7
benzyl nitrite
F
- 100-51-6
benzyl alcohol
| Conditions | Yield |
|---|---|
| With cis-nitrous acid at 37℃; Product distribution; further products; time course; | A 1.4% B 23% C 13% D 6.5% E 4% F 6% |
| With cis-nitrous acid at 37℃; Product distribution; Mechanism; further products; time course; | A 1.4% B 23% C 13% D 6.5% E 4% F 6% |
- 25924-78-1
piperylin
- 930-55-2
N-nitrosopyrrolidine
| Conditions | Yield |
|---|---|
| With perchloric acid; sodium nitrite In water at 100℃; for 2h; Product distribution; other reaction conditions; | 2.2% |
| With perchloric acid; sodium nitrite In water at 100℃; for 2h; | 2.2% |
| Conditions | Yield |
|---|---|
| With sodium perchlorate at 25℃; Rate constant; |
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Chemistry
Empirical Formula: C4H8N2O
Molecular Weight: 100.1191 g/mol
Index of Refraction: 1.564
Density: 1.24 g/cm3
Flash Point: 83.3 °C
Enthalpy of Vaporization: 43.2 kJ/mol
Boiling Point: 214 °C at 760 mmHg
Vapour Pressure: 0.233 mmHg at 25 °C
Solubility: Soluble in water
Appearance: Yellow liquid found in certain food
Structure of N-Nitrosopyrrolidine (CAS NO.930-55-2):
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IUPAC Name of N-Nitrosopyrrolidine (CAS NO.930-55-2): 1-Nitrosopyrrolidine
Canonical SMILES: C1CCN(C1)N=O
InChI: InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
InChIKey: WNYADZVDBIBLJJ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mma-esc 7500 µmol/L | IAPUDO IARC Publications. 41 (1982),543. | ||
| 2. | dnd-hmn:lng 100 µmol/plate | JNCIAM Journal of the National Cancer Institute. 59 (1977),1401. | ||
| 3. | orl-rat LD50:900 mg/kg | ZEKBAI Zeitschrift fuer Krebsforschung. 69 (1967),103. | ||
| 4. | orl-mus LD50:125 mg/kg | 85DUA4 Chemical Tumour Problems Nakahara, W., ed.,Tokyo, Japan.: Japanese Society for the Promotion of Science,1970,129. | ||
| 5. | scu-mus LD50:125 mg/kg | 85DUA4 Chemical Tumour Problems Nakahara, W., ed.,Tokyo, Japan.: Japanese Society for the Promotion of Science,1970,129. | ||
| 6. | orl-ham LD50:1023 mg/kg | JCROD7 Journal of Cancer Research and Clinical Oncology. 104 (1982),75. |
Consensus Reports
NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 17 ,1978,p. 313.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 17 ,1978,p. 313.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Safety Profile
Hazard Codes of N-Nitrosopyrrolidine (CAS NO.930-55-2): 
Xn
Risk Statements: 40
R40:Limited evidence of a carcinogenic effect.
Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Poison by ingestion and subcutaneous routes. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
Standards and Recommendations
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
Analytical Methods
For occupational chemical analysis use OSHA: #27 or NIOSH: Nitrosamines 2522.
Specification
N-Nitrosopyrrolidine ,its cas register number is 930-55-2. It also can be called Pyrrolidine, 1-nitroso- ; Pyrrolidine, nitroso- ;and 1-Nitrosopyrrolidine .