制备方法

暂无

合成制备方法

暂无

用途简介

非甾体抗炎药。

用途

非甾体抗炎药。

海关代码：

2918230000

危险类别码：

R36/37/38

安全说明：

37/39-26

RTECS号：

DH2080000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:

危险标志：

Xi:Irritant;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DH2080000

CHEMICAL NAME :

Benzoic acid, 2-hydroxy-, 2-carboxyphenyl ester

CAS REGISTRY NUMBER :

552-94-3

BEILSTEIN REFERENCE NO. :

2590908

LAST UPDATED :

199701

DATA ITEMS CITED :

8

MOLECULAR FORMULA :

C14-H10-O5

MOLECULAR WEIGHT :

258.24

WISWESSER LINE NOTATION :

QVR BOVR BQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

2229 mg/kg/2Y-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)

REFERENCE :

AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 107,116,1987

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1020 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

YAKUD5 Gekkan Yakuji. Pharmaceuticals Monthly. (Yakugyo Jihosha, Inaoka Bldg., 2-36 Jinbo-cho, Kanda, Chiyoda-ku, Tokyo 101, Japan) V.1- 1959- Volume(issue)/page/year: 22,1101,1980

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

1200 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

2 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

665 mg/kg

SEX/DURATION :

female 17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Effects on Embryo or Fetus - other effects to embryo Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

REFERENCE :

APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 29,250,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80509 No. of Facilities: 105 (estimated) No. of Industries: 2 No. of Occupations: 7 No. of Employees: 3179 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80509 No. of Facilities: 34 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 629 (estimated) No. of Female Employees: 291 (estimated)

毒理学数据：

1、急性毒性：成年男性经口TDLo：2229 mg/kg/2Y-I，肾，输尿管，膀胱-改变（包括急性肾功能衰竭，急性肾小管坏死）；

小鼠经皮下LD50：1020mg/kg，除致死剂量外无详细说明；

狗经未知途径LDLo：1200mg/kg，除致死剂量外无详细说明；

豚鼠经未知途径LDLo：2gm/kg，除致死剂量外无详细说明；

2、生殖毒性：小鼠DOSE经口TDLo：雌性怀孕后17天：665mg/kgSEX/DURATION，造成胎儿死亡，对胚胎或胎儿的其他影响。

生态数据：

真空或打扫材料到一个合适的处置容器。清理漏油，立即使用适当的防护设备。避免产生灰尘的条件。提供通风。

中国海关编码：2918230000

概述：

2918230000 水杨酸其他酯. 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：

2918230000 other esters of salicylic acid and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构数据

1、   摩尔折射率：66.70

2、   摩尔体积（m³/mol）：183.8

3、   等张比容（90.2K）：521.8

4、   表面张力（dyne/cm）：64.9

5、   极化率（10^-24cm³）：26.44

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:2

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:4

6.拓扑分子极性表面积83.8

7.重原子数量:19

8.表面电荷:0

9.复杂度:341

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

• 
  双水杨酸酯红外图谱(IR1)
• 
  双水杨酸酯红外图谱(IR2)
• 
  双水杨酸酯质谱(MS)
• 
  双水杨酸酯核磁图(¹³CNMR)
• 
  双水杨酸酯Raman光谱
• 
  双水杨酸酯核磁图(¹HNMR)