对甲苯磺酸钠

对甲苯磺酸钠 基本信息
CAS号 12068-03-0 分子式 C7H7NaO3S
分子量 194.18300 精确质量  194.00100
PSA  65.58000 LogP  1.97990

基本信息 展开↓

CAS号:
12068-03-0
分子式:
C7H7NaO3S
分子量:
194.18300
中文名称:
对甲苯磺酸钠
英文名称:
SODIUM P-TOLUENESULFONATE
中文别名:
对甲苯磺酸钠;
甲苯磺酸钠
英文别名:
SODIUM P-TOLUENESULFONATE;
cyclophilsts70;
SODIUM TOLUENESULFONATE;
NAXONATE ST;
SODIUM 4-TOLUENESULFONATE;
eltesolst34;
pilotsts32;
sodiumtoluenesulphonate;
NAXONATE 4ST;
TOSIC ACID SODIUM SALT;
eltesolst90
精确分子量/精确质量:
194.00100
极性分子表面积/PSA:
65.58000
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:
211-522-5

安全信息展开↓

海关代码:
2904100000
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
36/37/38
RTECS号:
XT7350000
危险标志:
Xi

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DB7177600
CHEMICAL NAME :
Benzenesulfonic acid, methyl-, sodium salt
CAS REGISTRY NUMBER :
12068-03-0
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C7-H7-O3-S.Na

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
12 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 48(8),67,1983
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 48(8),67,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
36 gm/kg/30-I
TOXIC EFFECTS :
Blood - changes in erythrocyte (RBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other oxidoreductases
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 48(8),67,1983 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3039 No. of Facilities: 4592 (estimated) No. of Industries: 46 No. of Occupations: 24 No. of Employees: 20616 (estimated) No. of Female Employees: 10714 (estimated)

海关数据查看详细

中国海关编码:2904100000

概述:
2904100000 仅含磺基的衍生物及其盐和乙酯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

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:3

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积:65.6

7.重原子数量:12

8.表面电荷:0

9.复杂度:211

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:2

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