1,2-环己二胺四乙酸

密度：

1.48g/cm3

沸点：

375.4ºC at 760 mmHg

闪点：

345.6°C

蒸汽压：

1.9E-18mmHg at 25°C

海关代码：

2922499990

CHEMICAL IDENTIFICATION

RTECS NUMBER :

AG5000000

CHEMICAL NAME :

Acetic acid, (1,2-cyclohexylenedinitrilo)tetra-

CAS REGISTRY NUMBER :

482-54-2

LAST UPDATED :

199701

DATA ITEMS CITED :

4

MOLECULAR FORMULA :

C14-H22-N2-O8

MOLECULAR WEIGHT :

346.38

WISWESSER LINE NOTATION :

L6TJ AN1VQ1VQ BN1VQ1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

413 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold Behavioral - aggression Lungs, Thorax, or Respiration - chronic pulmonary edema

REFERENCE :

TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 32,37,1986

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

150 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: AD691-490 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X7406 No. of Facilities: 223 (estimated) No. of Industries: 5 No. of Occupations: 4 No. of Employees: 1008 (estimated) No. of Female Employees: 155 (estimated)

毒理学数据：

1、   急性毒性：大鼠腹腔LD50：413mg/kg

              小鼠腹腔LD50：150mg/kg

中国海关编码：2922499990

概述：

2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装

监管条件：

A.入境货物通关单B.出境货物通关单

检验检疫：

P.进境动植物、动植物产品检疫Q.出境动植物、动植物产品检疫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：

HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

计算化学数据

1.疏水参数计算参考值（XlogP）:-4.5

2.氢键供体数量:4

3.氢键受体数量:10

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积156

7.重原子数量:24

8.表面电荷:0

9.复杂度:419

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:2

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