1,5-Naphthalenedisulfonicacid, 4-amino-
- 中文别名：4-氨基萘-1,5-二磺酸
- 中文释义：4-氨基萘-1,5-二磺酸;4-aminonaphthalene-1,5-disulfonic acid
- 英文别名：4-aminonaphthalene-1,5-disulfonic acid;
Amino-S acid;
Naphthylamin-(1)-disulfonsaeure-(4.8);
4-amino-naphthalene-1,5-disulfonic acid;
4-Amino-naphthalin-1,5-disulfonsaeure;
EINECS 204-196-0;
4-Amino-1,5-naphthalenedisulfonic acid;
1-Naphthylamine-4,8-disulphonic acid;
1-Aminonaphthalene-4,8-disulfonic acid;
1-Naphthylamine-4,8-disulfonic acid
- CAS No.：117-55-5
- 分子式：
C10H9NO6S2
- 分子量：303.32
- 精确分子量：302.98700
- PSA：151.52000
- InChI：The Key: PHZVGKMVVKFBCX-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.769g/cm3
- 折射率：
- 1.733
- 存储条件/存储方法：
- 库房通风低温干燥
安全信息
- 密度：
- 1.769g/cm3
- 折射率：
- 1.733
- 存储条件/存储方法：
- 库房通风低温干燥
毒理性
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
- 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
海关数据
中国海关编码：2921499090
- 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
- 摘要/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%
分子结构与计算化学数据
分子结构数据
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
计算化学数据
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
