1-Nitrosopyrrolidine 1-亚硝基吡咯烷

CAS 930-55-2 MFCD00003166

化学结构图

930-55-2
SMILES: O=NN1CCCC1

化学属性

Mol. FormulaC4H8N2O
Mol. Weight100.12
Density1.085 g/mL at 25 °C(lit.)
Boiling Point214 °C at 760 mmHg
Refractive indexn20/D 1.489(lit.)
Flash Point182 °F

别名和识别编码

Chemical Name1-Nitrosopyrrolidine
CAS Number930-55-2
Synonym 1-Nitrosopyrrolidine {LY} 1-Nitrosopyrrolidine {} {LY} 1-Nitrosopyrrolidine {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Nitrosopyrrolidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-
MDL NumberMFCD00003166
PubChem Substance ID13591
EC Number213-218-8
Chemical Name Translation1-亚硝基吡咯烷
Wiswesser Line NotationT5NTJ ANO
Beilstein Registry Number0107615
LabNetwork Molecule IDLN01300701
InChIInChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
Canonical SMILESC1CCN(C1)N=O
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分类

  • {SNA} Carcinogens, Cell Biology, 癌症研究
  • {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 5ring; 1fragment
  • Mutagenesis Research Chemicals
  • Nitric Oxide Reagents
  • {SNA} Carcinogens, 癌症研究, 细胞生物学
  • {SNA} 癌症研究, 细胞生物学, 致癌物
  • {SNA} Cancer Research, Carcinogens

产品应用

  • One of the N-nitroso compounds (NOCs) implicated in human colon carcinogenesis, but the toxicological mechanisms involved have not been elucidated.

相关文献及参考

  • Singer, S., et al.: J. Med. Chem., 28, 1088 (1985),
  • Helguera, A., et al.: Toxicol. Appl. Pharmacol., 221, 189 (2007),
  • Short: III/35E
  • Tomatis, L., et al.: Carcinogenesis, 18, 97 (1997),
  • Merck: 14,6643
  • Short: IV/20C
  • Short: EINECS
  • Merck: 14,6643 Beilstein: 20,III/IV,277

安全信息

WGK Germany3
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P308+P313
  • P330 Rinse mouth. 漱口
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H351 Suspected of causing cancer 怀疑致癌
RTECSUY1575000
Signal word Warning
GHS Symbol
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
Risk Statements
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
Packing GroupIII
Hazard Class6.1(b)
UN Number 2810
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 704 mg/kg/39W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   JCROD7 Journal of Cancer Research and Clinical Oncology.  (Springer-Verlag
   New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094)  V.93-
   1979-  Volume(issue)/page/year: 104,75,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 465 mg/kg/52W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   JCROD7 Journal of Cancer Research and Clinical Oncology.  (Springer-Verlag
   New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094)  V.93-
   1979-  Volume(issue)/page/year: 104,75,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 476 mg/kg/3.3Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 8,1635,1987

TYPE OF TEST            : TDLo - Lowest

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 1602 mg/kg/25W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Sense Organs and Special Senses (Olfaction) - tumors
   Lungs, Thorax, or Respiration - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816

TYPE OF TEST            :

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 125 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85DUA4 "Chemical Tumour Problems," Nakahara, W., ed., Tokyo, Japanese Soc.
   for the Promotion of Science, 1970  Volume(issue)/page/year: -,129,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZEKBAI Zeitschrift fuer Krebsforschung.  (Berlin, Fed. Rep. Ger.)  V.1-75,
   1903-71.  For publisher information, see JCROD7.  Volume(issue)/page/year:
   69,103,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 1023 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JCROD7 Journal of Cancer Research and Clinical Oncology.  (Springer-Verlag
   New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094)  V.93-
   1979-  Volume(issue)/page/year: 104,75,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 125 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85DUA4 "Chemical Tumour Problems," Nakahara, W., ed., Tokyo, Japanese Soc.
   for the Promotion of Science, 1970  Volume(issue)/page/year: -,129,1970

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 67,21,1979

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 500 umol/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 3,11,1981

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - hamster Liver
DOSE/DURATION           : 100 umol/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5,1,1983

TYPE OF T

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 18 mmol/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   48,4144,1988

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 10 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 271,59,1992

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 400 ug/well
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 46,53,1977

TYPE

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • Sigma Aldrich:930-55-2(sigmaaldrich)
  • MOL 文件:930-55-2.mol

系列性分类


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