117-55-5

• 常用中文名：1,5-Naphthalenedisulfonicacid, 4-amino-
• 常用英文名：1,5-Naphthalenedisulfonicacid, 4-amino-
• CAS号：117-55-5
• 分子式：C₁₀H₉NO₆S₂
• 分子量：303.31200
• 发布时间：2017-07-10 10:51:02
• 更新时间：2024-01-10 21:20:45

名称

• 英文名: 4-aminonaphthalene-1,5-disulfonic acid
• 英文别名: 4-Amino-naphthalin-1,5-disulfonsaeure; 4-amino-naphthalene-1,5-disulfonic acid; 4-Amino-1,5-naphthalenedisulfonic acid; 1-Naphthylamine-4,8-disulphonic acid; 1-Aminonaphthalene-4,8-disulfonic acid; Amino-S acid; Naphthylamin-(1)-disulfonsaeure-(4.8); 1-Naphthylamine-4,8-disulfonic acid; EINECS 204-196-0

物化性质

• 密度: 1.769g/cm3
• 分子式: C₁₀H₉NO₆S₂
• 分子量: 303.31200
• 精确质量: 302.98700
• PSA: 151.52000
• LogP: 3.65820
• 折射率: 1.733
• 储存条件:

  通风低温干燥

• 分子结构:

  1、 摩尔折射率：68.62

  2、 摩尔体积（cm³/mol）：171.3

  3、 等张比容（90.2K）：528.0

  4、 表面张力（dyne/cm）：90.1

  5、 极化率（10-24cm3）：27.20

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0

  2.氢键供体数量:3

  3.氢键受体数量:7

  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152

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:531

  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

毒性和生态

毒理学数据: 口服-大鼠LD50: 56000 毫克/公斤;口服-小鼠LD50: 56000 毫克/公斤 CHEMICAL IDENTIFICATION RTECS NUMBER : QJ6153000 CHEMICAL NAME : 1,5-Naphthalenedisulfonic acid, 4-amino- CAS REGISTRY NUMBER : 117-55-5 BEILSTEIN REFERENCE NO. : 2764005 LAST UPDATED : 199612 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C10-H9-N-O6-S2 MOLECULAR WEIGHT : 303.32 WISWESSER LINE NOTATION : L66J BSWQ EZ GSWQ 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 : 56 gm/kg TOXIC EFFECTS : Liver - liver function tests impaired Kidney, Ureter, Bladder - renal function tests depressed REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(3),73,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56 gm/kg TOXIC EFFECTS : Liver - liver function tests impaired Kidney, Ureter, Bladder - renal function tests depressed REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(3),73,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 24 gm/kg TOXIC EFFECTS : Liver - liver function tests impaired Kidney, Ureter, Bladder - renal function tests depressed REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(3),73,1980 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 24 gm/kg TOXIC EFFECTS : Liver - liver function tests impaired Kidney, Ureter, Bladder - renal function tests depressed REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(3),73,1980 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 127 gm/kg/45D-I TOXIC EFFECTS : Kidney, Ureter, Bladder - renal function tests depressed Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 45(3),73,1980

安全

• 海关编码: 2921499090

合成路线

82-75-7 ~63% 117-55-5

文献：Bayer Aktiengesellschaft Patent: US4407762 A1, 1983 ;

91-20-3 ~% 117-55-5

文献：Akt.-Ges. f. Anilinf. Patent: DE45776 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 2, p. 253

7664-93-9 82-75-7 ~% 117-55-5

文献：Schoellkopf Patent: DE40571 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 1, p. 393

上下游产品

上游产品  3
82-75-7 91-20-3 7664-93-9
下游产品  6
84-86-6 83-64-7 81-04-9 82-65-5
83-65-8 60913-37-3

海关

海关编码	2921499090
中文概述	2921499090 其他芳香单胺及衍生物及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%