6320-14-5

• 常用中文名：阳离子红 FF
• 常用英文名：Basic Red 12
• CAS号：6320-14-5
• 分子式：C₂₅H₂₉ClN₂
• 分子量：392.964
• 相关类别： 染料及颜料 染料 碱性染料
• 发布时间：2018-02-23 08:00:00
• 更新时间：2024-01-14 18:44:45

名称

• 中文名: 碱性红12
• 英文名: (2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole,chloride
• 中文别名: C.I.碱性红 12; 2-[3-(1,3-二氢-1,3,3-三甲基-2H-吲哚-2-亚基)-1-丙烯基]-1,3,3-三甲基-氯化3H-吲哚翁盐; 阳离子红 FF
• 英文别名: Brilliant Pink AS; 3H-indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-, chloride (1:1); 1,3-Bis-(1,3,3-trimethyl-3H-indol-2-yl)-trimethinium,Chlorid; Acronol Phloxine FF; Aizen Astra Phloxine FF; C.I. Basic Red 12; Astraphloxin; Cosmophloxine F; 1,3-bis-(1,3,3-trimethyl-3H-indol-2-yl)-trimethinium,chloride; Astra Phloxine G Extra; 1,3,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3H-indolium chloride; Astra Phloxine; astra phloxin FF; Astrafloksin; 1,3,3-Trimethyl-2-[(1E,3E)-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-3H-indolium chloride; 3H-Indolium, 2-[(1E,3E)-3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propen-1-yl]-1,3,3-trimethyl-, chloride (1:1); Basic Red 12

物化性质

• 分子式: C₂₅H₂₉ClN₂
• 分子量: 392.964
• 精确质量: 392.201935
• PSA: 6.25000
• LogP: 2.58810
• 外观性状: 灰色粉末
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积:6.2

  7.重原子数量:28

  8.表面电荷:0

  9.复杂度:623

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:2

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:2

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NM2251500 CHEMICAL NAME : 3H-Indolium, 1,3,3-trimethyl-2-(3-(1,3,3-trimethyl-2-indolinyliden e)propenyl)-, chloride CAS REGISTRY NUMBER : 6320-14-5 LAST UPDATED : 199710 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C25-H29-N2.Cl HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 18 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-1285-0581 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T0171 No. of Facilities: 30 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 446 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T0171 No. of Facilities: 41 (estimated) No. of Industries: 2 No. of Occupations: 7 No. of Employees: 1770 (estimated) No. of Female Employees: 16 (estimated)

合成路线

118-12-7 84-83-3 ~% 6320-14-5

文献：US2126852 , ; DE710749 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 25, p. 613

118-12-7 ~% 6320-14-5

文献：US2126852 , ;

64-18-6 118-12-7 ~% 6320-14-5

文献：CH137958 , ;

118-12-7 16694-46-5 ~% 6320-14-5

文献：DE539784 , ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 18, p. 888

118-12-7 864131-95-3 ~% 6320-14-5

文献：CH156453 , ;

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