包装等级：

III

风险类别：

6.1(b)

海关代码：

2925290090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R22

安全说明：

S26-S36

RTECS号：

MF1400000

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。
S36:穿戴合适的防护服装。

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

MF1400000

CHEMICAL NAME :

Guanidine, 1,3-di-o-tolyl-

CAS REGISTRY NUMBER :

97-39-2

BEILSTEIN REFERENCE NO. :

2653884

LAST UPDATED :

199701

DATA ITEMS CITED :

7

MOLECULAR FORMULA :

C15-H17-N3

MOLECULAR WEIGHT :

239.35

WISWESSER LINE NOTATION :

1R BMYUM&MR B1

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 :

500 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 90,260,1947

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

25 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

80 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

IPSTB3 International Polymer Science and Technology. (Rapra Technology Ltd., Shawbury, Shrewsbury, Shropshire SY4 4NR, UK) Volume(issue)/page/year: 3,93,1976

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

120 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis

REFERENCE :

JIDHAN Journal of Industrial Hygiene. (Cambridge, MA) V.1-17, 1919-35. For publisher information, see AEHLAU. Volume(issue)/page/year: 13,87,1931 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81800 No. of Facilities: 157 (estimated) No. of Industries: 5 No. of Occupations: 23 No. of Employees: 3729 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81800 No. of Facilities: 492 (estimated) No. of Industries: 7 No. of Occupations: 18 No. of Employees: 22254 (estimated) No. of Female Employees: 4255 (estimated)

毒理学数据：

急性毒性：大鼠经口LD50：500mg /kg；

生态数据：

该物质对水有稍微的危害。

中国海关编码：2925290090

概述：

2925290090 其他亚胺及其衍生物，以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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：

2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构数据

1、   摩尔折射率：74.22

2、   摩尔体积（cm³/mol）：221.5

3、   等张比容（90.2K）：555.5

4、   表面张力（dyne/cm）：38.5

5、   介电常数：

6、   偶极距（10^-24cm³）：

7、   极化率：29.42

计算化学数据

1.疏水参数计算参考值（XlogP）:3.1

2.氢键供体数量:2

3.氢键受体数量:1

4.可旋转化学键数量:3

5.互变异构体数量:2

6.拓扑分子极性表面积50.4

7.重原子数量:18

8.表面电荷:0

9.复杂度:288

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

• 
  1
• 
  3-二邻甲苯基胍质谱(MS)
• 
  1
• 
  3-二邻甲苯基胍核磁图(¹³CNMR)
• 
  1
• 
  3-二邻甲苯基胍核磁图(¹HNMR)