7,12-Dimethylbenz[a]anthracene 7,12-二甲基苯蒽

CAS 57-97-6 MFCD00003600

化学结构图

57-97-6
SMILES: Cc1c2ccccc2c(C)c2c1ccc1ccccc12

化学属性

Mol. FormulaC20H16
Mol. Weight256.34
Melting Point122-123 °C
TSCAYes
Flash Point54.44°C
Boiling Point183-184 °C at 765 mmHg
Refractive indexn20/D 1.501(lit.)
Density0.9

别名和识别编码

Chemical Name7,12-Dimethylbenz[a]anthracene, 98.5%, reference material
Synonym DMBA {LY} DMBA {} {LY} DMBA {} {} {LY} DMBA {} {} {} {LY} DMBA {} {} {} {} {LY} DMBA {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} DMBA {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number57-97-6
PubChem Substance ID6001
EC Number200-359-5
Beilstein Registry Number5(3)2413
MDL NumberMFCD00003600
Reaxys-RN1912135
Merck Number3235
Chemical Name Translation7,12-二甲基苯蒽
Wiswesser Line NotationL D6 B666J C1 J1
LabNetwork Molecule IDLN00194807
InChIInChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3
Canonical SMILESCC(C1=CC=CC=C21)=C3C=CC4=CC=CC=C4C3=C2C
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分类

  • {SNA} Carcinogens, Cell Biology, 癌症研究
  • All PAH Standards, Alpha Sort, Alphabetic, Analytical Standards, Analytical/Chromatography, Chromatography, D, DID - DIN, Environmental Standards, PAHs, Volatiles/ Semivolatiles, solutions
  • {SNA} Cancer Research, Carcinogens
  • {SNA} Carcinogens, 癌症研究, 细胞生物学
  • {SNA} 癌症研究, 细胞生物学, 致癌物

产品应用

  • DMBA被p450酶氧化产生的代谢物能和DNA共价形成加合物,形成脱嘌呤碱基位点。 常用于在动物身上诱导皮肤和乳房瘤,也能诱发白血病和其它瘤。

相关文献及参考

  • Merck:3235
  • Merck:3235 Beilstein:5(3)2413

安全信息

GHS Symbol
WGK Germany3
Hazard Codes 9
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H331 Toxic if inhaled 吸入中毒
  • H350 May cause cancer 可能致癌
  • H370 Causes damage to organs 导致器官损伤
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSCW3850000
Precautionary statements
  • P203
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P301+P317
  • P318
  • P330 Rinse mouth. 漱口
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
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;
Risk Statements
  • R45 May cause cancer 可能致癌
  • R22 Harmful if swallowed 吞咽有害
Packing GroupIII
Hazard Class6.1(b)
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
UN Number 3077
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   39,3968,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 mg/kg
                          female 18-20 day(s) after conception
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Reproductive - Tumorigenic effects - ovarian tumors
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   VOONAW Voprosy Onkologii.  Problems of Oncology.  For English translation,
   see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-10,
   1928-37; V.1-    1955-  Volume(issue)/page/year: 20(8),65,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Primate - monkey
DOSE/DURATION           : 1600 mg/kg/65W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   JNC

T

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 1600 ug/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   PEXTAR Progress in Experimental Tumor Research.  (S. Karger AG, Postfach
   CH-4009 Basel, Switzerland) V.1-    1960-  Volume(issue)/page/year:
   26,128,1983

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 20 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 252,1236,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intratracheal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 22500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PWPSA8 Proceedings of the Western Pharmacology Society.  (Univ. of
   California Dept. of Pharmacology, Los Angeles, CA 90024)  V.1-    1958-
   Volume(issue)/page/year: 24,177,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 54 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCIEAS Science.  (American Assoc. for the Advancement of Science, 1333 H
   St., NW, Washington, DC 20005)  V.1-    1895-  Volume(issue)/page/year:
   147,1153,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 340 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCIEAS Science.  (American Assoc. for the Advancement of Science, 1333 H
   St., NW, Washington, DC 20005)  V.1-    1895-  Volume(issue)/page/year:
   147,1153,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOS

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1 gm/kg
REFERENCE :
   PAACA3 Proceedings of the American Association for Cancer Research. (Waverly
   Press, 428 E. Preston St., Baltimore, MD 21202)  V.1-    1954-
   Volume(issue)/page/year: 25,107,1984

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 6(Suppl
   2),1,1984

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 100 ug/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 2,417,1981

T

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 200 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 53,152,1978

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 10 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 271,201,1992

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - hamster
DOSE/DURATION           : 32 umol/kg
REFERENCE :
   HEREAY Hereditas (Lund, Sweden).  (Gjoerloffsgatan 121, S

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 20 mg/kg
SEX/DURATION            : female 13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   IARCCD IARC Scientific Publications.  (Geneva, Switzerland)  No.1-26,
   1971-78.  For publisher information, see IAPUDO.  Volume(issue)/page/year:
   4,112,1973

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 6060 ug/kg
SEX/DURATION            : female 8-12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnorma

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 25 mg/kg
SEX/DURATION            : male 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   KDIKAX Kobe Daigaku Igakubu Kiyo.  Journal of the Medical Faculty of Kobe
   University.  (Kobe Daigaku Igakubu, 7-chome, Kusumoto-cho, Chuo-ku, Kobe
   650, Japan)  V.30-    1968-  Volume(issue)/page/year: 41,141,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 672 mg/kg
SEX/DURATION            : female 15 day(s) pre-mating  - 5 day(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - live birth index (measured after birth)
   Reproductive - Effects on Newborn - germ cell effects (in offspring)
REFERENCE :
   DOESD6 DOE Symposium Series.  (NTIS, 5285 Port Royal Rd., Springfield, VA
   22161)  No.45-    1978-  Volume(issue)/page/year: 54,410,1981

其他信息

  • 用途一:DMBA被p450酶氧化产生的代谢物能和DNA共价形成加合物,形成脱嘌呤碱基位点。 常用于在动物身上诱导皮肤和乳房瘤,也能诱发白血病和其它瘤。
  • Sigma Aldrich:57-97-6(sigmaaldrich)
  • 图谱信息:9,10-二甲基-1,2-苯并蒽(57-97-6)红外图谱(IR1) 9,10-二甲基-1,2-苯并蒽(57-97-6)质谱(MS) 9,10-二甲基-1,2-苯并蒽(57-97-6)核磁图( 13 CNMR) 9,10-二甲基-1,2-苯并蒽(57-97-6)红外图谱(IR2) 9,10-二甲基-1,2-苯并蒽(57-97-6)核磁图( 1 HNMR)
  • Acros Organics:7,12-二甲基苯并(a)蒽 7,12-Dimethylbenz[a]anthracene, 99%(57-97-6)
  • F:10-13-23
  • TCI Shanghai:7,12-二甲基苯并[a]蒽 7,12-Dimethylbenz[a]anthracene,>;98.0%(GC)(57-97-6)
  • MOL 文件:57-97-6.mol
  • 9,10-二甲基-1,2-苯并蒽价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0677 7,12-二甲基苯并[a]蒽 7,12-Dimethylbenz[a]anthracene 1G 1200元 2014/06/02 D0677 7,12-二甲基苯并[a]蒽 7,12-Dimethylbenz[a]anthracene 5G 4760元 2010/06/21 408180010 9,10-二甲基-1,2-苯并蒽 7,12-Dimethylbenz[a]anthracene 99% 1 GR 1609元
  • 下游产品:氟氯菊酯 --> (2-溴苯基)二甲胺
  • Alfa Aesar:7,12-Dimethylbenz[a]anthracene, 99%(57-97-6)

系列性分类


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