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)
- 中文别名：碱性红12
- 中文释义：碱性红12;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：(2Z)-1,3,3-trimethyl-2-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]indole,chloride;
Brilliant Pink AS;
C.I. Basic Red 12;
Astra Phloxine;
Aizen Astra Phloxine FF;
Astraphloxin;
Acronol Phloxine FF;
1,3-bis-(1,3,3-trimethyl-3H-indol-2-yl)-trimethinium,chloride;
Astrafloksin;
astra phloxin FF;
Astra Phloxine G Extra;
Cosmophloxine F;
1,3-Bis-(1,3,3-trimethyl-3H-indol-2-yl)-trimethinium,Chlorid
- CAS No.：6320-14-5
- 分子式：
C25H29N2.Cl
- 分子量：392.96400
- 精确分子量：392.20200
- PSA：6.25000
- InChI：InChI=1/C25H29N2.ClH/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;/h7-17H,1-6H3;1H/q+1;/p-1
- 分子结构式：
毒理性
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)
分子结构与计算化学数据
计算化学数据
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
