1,4-萘醌

外观与性状：

黄色针状或褐色绿色粉末带有一种苯醌的气味

密度：

1,42 g/cm3

熔点：

119-122 °C(lit.)

沸点：

297.9ºC at 760 mmHg

闪点：

141 °C

水溶解性：

insoluble

折射率：

1.617

蒸汽压：

0.00131mmHg at 25°C

稳定性相关：

1. 具有毒性和刺激性。

2. 加热至100℃即可升华。强烈加热能分解爆炸。

其它信息：

1. 性状：亮黄色针状结晶。能随水蒸气挥发，有苯醌气味。

2. 密度（g/mL ,25/4℃）：1.422

3. 熔点（℃）：128.5

4. 溶解性：易溶于热的乙醇、乙醚、苯、氯仿、二硫化碳和乙酸，溶于碱性氢氧化物溶液，微溶于石油醚，少量溶于冷水。

包装等级：

I

风险类别：

6.1

海关代码：

29146910

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R25;R26;R36/37/38;R43;R50

安全说明：

S26-S36/37-S45-S61-S38-S36/37/39-S28A-S24

RTECS号：

QL7175000

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。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:

危险标志：

T+:Verytoxic;N:Dangerous for the environment;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

QL7175000

CHEMICAL NAME :

1,4-Naphthoquinone

CAS REGISTRY NUMBER :

130-15-4

LAST UPDATED :

199801

DATA ITEMS CITED :

21

MOLECULAR FORMULA :

C10-H6-O2

MOLECULAR WEIGHT :

158.16

WISWESSER LINE NOTATION :

L66 BV EVJ

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 :

190 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

50 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

202 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

80 mg/kg

TOXIC EFFECTS :

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

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5500 ug/kg

TOXIC EFFECTS :

Tumorigenic - active as anti-cancer agent

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

40 mg/kg

TOXIC EFFECTS :

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

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

10 mg/kg

TOXIC EFFECTS :

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

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

400 mg/kg

TOXIC EFFECTS :

Behavioral - somnolence (general depressed activity) Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Bird - wild bird species

DOSE/DURATION :

133 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

72800 ug/kg/26W-I

TOXIC EFFECTS :

Liver - other changes Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

6 gm/kg/30D-I

TOXIC EFFECTS :

Liver - liver function tests impaired Blood - methemoglobinemia-carboxyhemoglobin Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

300 mg/kg/10D-I

TOXIC EFFECTS :

Endocrine - changes in spleen weight Blood - pigmented or nucleated red blood cells Nutritional and Gross Metabolic - changes in iron

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1300 mg/kg/13W-I

TOXIC EFFECTS :

Endocrine - changes in spleen weight Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - changes in iron

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

72800 ug/kg/26W-I

TOXIC EFFECTS :

Liver - other changes Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

800 mg/kg/29W-C

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Skin and Appendages - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

5 mg/kg

SEX/DURATION :

female 1 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Maternal Effects - ovaries, fallopian tubes

MUTATION DATA

TYPE OF TEST :

Micronucleus test

TEST SYSTEM :

Human Lymphocyte

DOSE/DURATION :

100 ug/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 393,23,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.1 mg/m3;Skin JAN 1993

分子结构数据

1、   摩尔折射率：42.90

2、   摩尔体积（cm³/mol）：122.5

3、   等张比容（90.2K）：330.5

4、   表面张力（dyne/cm）：52.9

5、   极化率（10^-24cm³）：17.00

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:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积34.1

7.重原子数量:12

8.表面电荷:0

9.复杂度:227

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

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  4-萘醌红外图谱(IR1)
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  4-萘醌红外图谱(IR2)
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