145-94-8

• 常用中文名：4-氯-7-羟基氢化茚
• 常用英文名：Chlorindanol
• CAS号：145-94-8
• 分子式：C₉H₉ClO
• 分子量：168.62000
• 相关类别： 研究领域 其他
• 发布时间：2019-02-27 10:56:20
• 更新时间：2024-01-02 12:09:34
• Chlorindanol是一种新型防腐剂。

名称

• 中文名: 7-氯-2,3-二氢-1H-茚-4-醇
• 英文名: 7-chloro-2,3-dihydro-1H-inden-4-ol
• 中文别名: 4-氯-7-羟基氢化茚
• 英文别名: 7-Chloro-4-indanol; 7-Chlor-indanol-(4); 4-Indanol,7-chloro; CHLORINDANOL; Clorindanolum [INN-Latin]; 7-Chlor-indan-4-ol; Lanesta; 7-chloro-indan-4-ol; Clorindanol

物化性质

• 密度: 1.308g/cm3
• 沸点: 290ºC at 760mmHg
• 熔点: 91-93ºC
• 分子式: C₉H₉ClO
• 分子量: 168.62000
• 闪点: 129.2ºC
• 精确质量: 168.03400
• PSA: 20.23000
• LogP: 2.53430
• 蒸汽压: 0.00122mmHg at 25°C
• 折射率: 1.618
• 储存条件:

  低温通风干燥处

• 分子结构:

  1、 摩尔折射率：45.20

  2、 摩尔体积（cm³/mol）：128.9

  3、 等张比容（90.2K）：344.3

  4、 表面张力（dyne/cm）：50.9

  5、 极化率（10-24cm3）：17.92

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:6

  6.拓扑分子极性表面积20.2

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:149

  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:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: Chlorindanol是一种新型防腐剂。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 其他

毒性和生态

毒理学数据: 口服-小鼠 LD50: 920 毫克/公斤; 静脉-小鼠 LD50: 48 毫克/公斤。 CHEMICAL IDENTIFICATION RTECS NUMBER : NK7533200 CHEMICAL NAME : 4-Indanol, 7-chloro- CAS REGISTRY NUMBER : 145-94-8 BEILSTEIN REFERENCE NO. : 1945696 LAST UPDATED : 199612 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C9-H9-Cl-O MOLECULAR WEIGHT : 168.63 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 920 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - respiratory depression REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,212,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 96 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,212,1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 48 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - excitement Lungs, Thorax, or Respiration - other changes REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,212,1959 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 8 gm/kg/5D-I TOXIC EFFECTS : Related to Chronic Data - death REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,212,1959 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 7925 mg/kg/5D-I TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - pleural thickening Related to Chronic Data - death REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 48,212,1959

安全

• 危害码 (欧洲): Xi

合成路线

1641-41-4 ~% 145-94-8

文献：US2012/252758 A1, ; Page/Page column 69 ;

81945-10-0 ~% 145-94-8

文献：Journal of the American Chemical Society, , vol. 79, p. 3559 DE951629 , ;

1641-41-4 ~% 145-94-8 90649-72-2

文献：Journal of the American Chemical Society, , vol. 79, p. 3559

40731-98-4 ~% 145-94-8

文献：US2012/252758 A1, ;

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