N-​Nitrosodiethanolamin​e N-亚硝基二乙醇胺

CAS 1116-54-7 MFCD00015522

化学结构图

1116-54-7
SMILES: O=NN(CCO)CCO

化学属性

Mol. FormulaC4H10N2O3
Mol. Weight134.14
Refractive index1.4960 to 1.5000
Density1.26
Boiling Point114°C/1.4mmHg(lit.)

别名和识别编码

Chemical NameN-​Nitrosodiethanolamin​e
CAS Number1116-54-7
Synonym 2,2'-(nitrosoimino)bisethanol 2,2?-(Nitrosoimino)bisethanol 2,2’-(nitrosoimino)bis-Ethanol 2,2’-(nitrosoimino)bis-ethano 2,2’-(nitrosoimino)bisethanol D DIETHANOLNITROSAMINE Diethanolnitrosoamine Diethylamine, 2,2'-dihydroxy-N-nitroso- Ethanol, 2,2'-nitrosiminodi- N,N-Diethanolnitrosamine N-NITROSODIETHANOLAMINE N-Nitroso-diethanolamin N-Nitrosobis(2-hydroxyethyl)amine N-Nitrosodiethanolamine NDELA Ndela Nitrosoimino diethanol RCRA waste number U173 bis(beta-hydroxyethyl)nitrosamine di-(2-hydroxyethyl)-nitrosamine diaethanolnitrosamin nitrosoiminodiethanol {} {Chemicalbook} {} {haza {} {hazard_c 二乙醇亚硝基胺 二乙醇亚硝胺
MDL NumberMFCD00015522
PubChem Substance ID14223
Reaxys-RN1762620
Merck Number6634
Beilstein Registry Number1762620
EC Number214-237-4
Chemical Name TranslationN-亚硝基二乙醇胺
Wiswesser Line NotationQ2NNO&&2Q
LabNetwork Molecule IDLN00195383
InChIInChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2
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分类

  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Antioxidants & Preservatives, Chromatography, N, NA - NI, Standards for Personal Care and Cosmetic Products, 分析/色谱
  • Nitric Oxide Reagents
  • {uni_hamburg} no charge; alcohol; 1fragment
  • {SNA} Analytical Standards, Antioxidants & Preservatives, Chromatography, Standards for Personal Care and Cosmetic Products, 分析/色谱
  • Amines
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Antioxidants & Preservatives, Chromatography, N, NA - NI, Standards for Personal Care and Cosmetic Products

产品应用

  • A potent liver carcinogen in several species of animals, is one of the most widespread N-nitroso compounds in the human environment.

相关文献及参考

  • Lian, G., et al.: J. Pharm. Sci., 97, 584 (2007),
  • Baert, B., et al.: Bioorg. Med. Chem., 15, 6943 (2007),
  • Helguera, A.,et al.: Toxicol. App. Pharmacol., 231, 197 (2008),
  • Short: IV/20C Title: Vapor Pressure and Antoine Coefficients for Nitrogen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20C Year: 2001 Keyword: organic compounds; vapor pressure ISBN: 3-540-41060-0 ISBN: 978-3-540-41060-7 Internet Resource: DOI:10.1007/b88812 RefComment: VII, 197 pages
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany1
GHS Symbol
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P405 Store locked up. 上锁保管。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P305+P351+P338
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • 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。
Hazard statements
  • H350 May cause cancer 可能致癌
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H351 Suspected of causing cancer 怀疑致癌
Signal word Danger
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSKL9550000
Hazard Codes F,T T
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R45 May cause cancer 可能致癌
Packing GroupII
Hazard Class3.1
Storage condition 2-8°C
UN Number UN 1993 3/PG 2 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 855 mg/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Sense Organs and Special Senses (Olfaction) - tumors
   Liver - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   42,5167,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 6080 mg/kg/27W-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, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,2521,1983

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 12 gm/kg/75W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Sense Organs and Special Senses (Olfaction) - tumors
   Liver - tumors
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pe

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 21600 mg/kg/45W-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, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,2521,1983

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 11 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   4,55,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 40(1),81,1975

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 12500 nmol/L
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: 111,149,1986

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 umol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 158,141,1

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 192,91,1987

TYPE OF TEST            : DNA dam

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Administration onto the skin
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 260 mmol/L
REFERENC

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 17 gm/L
REFERENCE :
   IAPUDO IARC Publications.  (WHO Publications Centre USA, 49 Sheridan Ave.,
   Albany, NY 12210) No.27-    1979-  Volume(issue)/page/year: 57,721,

TYPE OF TEST            : Host-mediated assay
TEST SYSTEM             : Rodent - mouse Bacteria - Escherichia coli
DOSE/DURATION           : 450 umol/kg
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 2,909,1981

其他信息

  • Sigma Aldrich:1116-54-7(sigmaaldrich)
  • MOL 文件:1116-54-7.mol
  • 二乙醇亚硝胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0438 N-亚硝基二乙醇胺 N-Nitrosodiethanolamine 5G 2270元
  • TCI Shanghai:N-亚硝基二乙醇胺 N-Nitrosodiethanolamine,>;97.0%(GC)(1116-54-7)

系列性分类

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