1-Butanol, 4-(butylnitrosoamino)- N-丁基-N-(4-羟丁基)亚硝胺

CAS 3817-11-6 MFCD00059008

化学结构图

3817-11-6
SMILES: CCCCN(CCCCO)N=O

化学属性

Mol. FormulaC8H18N2O2
Mol. Weight174.24
Refractive index1.4700 to 1.4740
Boiling Point167°C/5mmHg(lit.)

别名和识别编码

Chemical Name1-Butanol, 4-(butylnitrosoamino)-
MDL NumberMFCD00059008
CAS Number3817-11-6
Synonym 4-(Butylnitrosamino)-1-butanol 4-(n-Butylnitrosamino)-1-butanol 4-Hydroxybutylbutylnitrosamine BBN BBN N-Butyl-N-butan-4-ol-nitrosamine N-Butyl-N-nitroso-4-aminobutanol OH-BBN Butanol (4)-butyl-nitrosamine Butyl-butanol(4)-nitrosamin Butyl-butanol-nitrosamine Dibutylamine, 4-hydroxy-N-nitroso- N-Butyl-N-(4-hydroxybutyl)nitrosamine N-Nitroso-n-butyl-(4-hydroxybutyl)amine N-Nitrosobutylbutanolamine n-Butyl-(4-hydroxybutyl)nitrosamine
Reaxys-RN2080574
PubChem Substance ID19665
Chemical Name TranslationN-丁基-N-(4-羟丁基)亚硝胺
Wiswesser Line NotationQ4N4&NO
Beilstein Registry Number2080574
InChIKeyDIKPQFXYECAYPC-UHFFFAOYSA-N
LabNetwork Molecule IDLN01740381
InChIInChI=1S/C8H18N2O2/c1-2-3-6-10(9-12)7-4-5-8-11/h11H,2-8H2,1H3
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安全信息

GHS Symbol
WGK Germany3
Precautionary statements
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P405 Store locked up. 上锁保管。
  • P301+P312+P330
  • 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。
  • 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。
Hazard statements
  • H350 May cause cancer 可能致癌
  • H302 Harmful if swallowed 吞食有害
RTECSEL1225000
Signal word Danger
Safety Statements
  • S53 Avoid exposure - obtain special instructions before use 避免接触,使用前获得特别指示说明;
Hazard Codes T
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Risk Statements
  • R45 May cause cancer 可能致癌
  • R22 Harmful if swallowed 吞咽有害
Storage condition 0-10 0-10°C
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 22500 mg/kg/75W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Gastrointestinal - colon tumors
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   CDPRD4 Cancer Detection and Prevention.  (Alan R. Liss, Inc., 41 E. 11th
   St., New York, NY 10003) V.1-    1976-  Volume(issue)/page/year: 4,79,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 10 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - tumors
   Blood - normocytic anemia
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   41,1958,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 100 mg/kg
                          female 14 day(s) after conception
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Reproductive - Tumorigenic effects - transplacental tumorigenesis
   Endocrine - tumors
REFERENCE :
   ZKKOBW Zeitschrift fuer Krebsforschung und Klinische Onkologie.  (Be

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/kg/10W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Kidney, Ureter, Bladder - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 2,251,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   XENOBH Xenobiotica.  (Taylor & Francis Ltd., 4 John St., London WC1N 2ET,
   UK)  V.1-    1971-  Volume(issue)/page/year: 3,271,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Vascular - other changes
   Blood - hemorrhage
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   1,15,1975

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 1500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 93,409,1982

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - rat Cells - not otherwise specified
DOSE/DURATION           : 1500 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 93,409,1982

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 250 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam,

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 1200 mg/L/48H
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 48,337,1977

TYPE OF TEST            : Morphological transformation
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 700 mg/kg
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 78,473,1987

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 umol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 140,147,1984

TYPE OF TES

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