4,4’-二硝基二苯乙烯-2,2’-二磺酸

4,4’-二硝基二苯乙烯-2,2’-二磺酸 基本信息
CAS号 128-42-7 分子式 C14H10N2O10S2
分子量 430.36700 精确质量  429.97800
PSA  217.14000 LogP  5.37480

基本信息 展开↓

CAS号:
128-42-7
分子式:
C14H10N2O10S2
分子量:
430.36700
中文名称:
4,4’-二硝基二苯乙烯-2,2’-二磺酸
英文名称:
4,4'-dinitrostilbene-2,2'-disulfonic acid
中文别名:
4,4’-二硝基二苯乙烯-2,2’-二磺酸;
二硝基酸;
5,5’-二硝基二苯乙烯-2,2’-二磺酸;
DNS酸;
4,4'-二硝基二苯乙烯-2,2'-二磺酸
英文别名:
4,4'-dinitrostilbene-2,2'-disulfonic acid;
4,4'-Dinitrostilbene-2,2'-disulfonic acid;
6,6'-(Ethene-1,2-diyl)bis(3-nitrobenzenesulfonic acid)
精确分子量/精确质量:
429.97800
极性分子表面积/PSA:
217.14000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
204-885-6
InChI:
InChI=1/C14H10N2O10S2.Na/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26;/h1-8H,(H,21,22,23)(H,24,25,26);/q;+1/p-1

生产制备方法及用途展开↓

制备方法


用作染料中间体,用于生产DSD酸。

用途简介


用途


用作染料中间体,用于生产DSD酸。

物化性质展开↓

密度:
1.779g/cm3
熔点:
266ºC

安全信息展开↓

包装等级:
II
风险类别:
3
WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
S16-S26-S27-S36/37/39-S45

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WJ6625000
CHEMICAL NAME :
2,2'-Stilbenedisulfonic acid, 4,4'-dinitro-
CAS REGISTRY NUMBER :
128-42-7
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C14-H10-N2-O10-S2
MOLECULAR WEIGHT :
430.38
WISWESSER LINE NOTATION :
WSQR CNW F1U1R DNW BSWQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1062,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1062,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1062,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
47 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 :
30 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 :
71 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5743 No. of Facilities: 13 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 211 (estimated)

分子结构与计算化学数据展开↓

分子结构数据


1、 摩尔折射率:93.39

2、 摩尔体积(cm3/mol):241.8

3、 等张比容(90.2K):749.1

4、 表面张力(dyne/cm):92.0

5、 极化率(10-24cm3):37.02

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