制备方法

以氧芴为原料,经开环、酸析、氯化、硝化得双硝氯酚。将氧芴与固体氢氧化钾混合,搅拌升温至280-300℃。反应8-9h。稍冷后加入冰水,搅拌溶解后滤出残渣。滤液用50%的硫酸中和至PH9-10,并加活性炭脱色1h。脱色液用硫酸调PH至2-3,析出结晶。过滤后,水洗至中性,70℃干燥得2,2'-二羟基联苯。2,2'-二羟基联苯溶于冰醋酸,于15-30℃下滴加二氯亚砜,生成2,2'-二羟基-4,4'-二氯联苯。然后于20℃下滴硝酸,并于30℃下反应2h。之后加入活性炭,回流脱色1h。过滤后冷却结晶,滤出结晶,用醋酸洗涤,干燥得双硝氯酚。收率60%。

用途简介

抗蠕早药。用于防治牛、羊肝片吸虫病。

海关代码：

2907299090

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DV5075000

CHEMICAL NAME :

(1,1'-Biphenyl)-2,2'-diol, 5,5'-dichloro-3,3'-dinitro-

CAS REGISTRY NUMBER :

10331-57-4

LAST UPDATED :

199612

DATA ITEMS CITED :

5

MOLECULAR FORMULA :

C12-H6-Cl2-N2-O6

MOLECULAR WEIGHT :

345.10

WISWESSER LINE NOTATION :

WNR DQ CG ER BQ CG ENW

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 :

10 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - hamster

DOSE/DURATION :

50 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JETOAS Journal Europeen de Toxicologie. (Paris, France) V.1-6, 1968-72. For publisher information, see TOERD9. Volume(issue)/page/year: 4,525,1971

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - domestic

DOSE/DURATION :

15 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

FAZMAE Fortschritte der Arzneimittelforschung. Progress in Drug Research. (Birkhauser Boston, Inc., c/o Springer-Verlag New York, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1959- Volume(issue)/page/year: 17,108,1973

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - wild bird species

DOSE/DURATION :

13 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

10 mg/kg

SEX/DURATION :

female 8 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :

JETOAS Journal Europeen de Toxicologie. (Paris, France) V.1-6, 1968-72. For publisher information, see TOERD9. Volume(issue)/page/year: 4,525,1971

中国海关编码：2907299090

概述：

2907299090 其他多元酚，酚醇。监管条件:AB(入境货物通关单,出境货物通关单)。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

监管条件：

A.入境货物通关单B.出境货物通关单

检验检疫：

R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验

摘要/Summary：

2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%

计算化学数据

1.疏水参数计算参考值（XlogP）:4.9

2.氢键供体数量:2

3.氢键受体数量:6

4.可旋转化学键数量:1

5.互变异构体数量:10

6.拓扑分子极性表面积:132

7.重原子数量:22

8.表面电荷:0

9.复杂度:402

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