2, 4-二氯苯酚

外观与性状：

白色至灰白色结晶固体

密度：

1.383

熔点：

42-43 °C(lit.)

沸点：

209-210 °C(lit.)

闪点：

237 °F

水溶解性：

4.5 g/L (20 ºC)

蒸汽压：

0.136mmHg at 25°C

存储条件/存储方法：

库房通风低温干燥,与氧化剂、食品化工添加剂、酸类分开存放

稳定性相关：

1.白色针状结晶。能随水蒸气挥发。溶于乙醇、乙醚、苯和四氯化碳，微溶于水。对组织有强烈刺激性。

2.易挥发，腐蚀性强，能灼烧皮肤，刺激眼睛及皮肤。中毒严重者，可产生贫血及各种神经系统症状。对皮肤过敏者，可引起皮炎而难治愈。车间应通风良好，设备应密闭。操作时应戴口罩、眼镜和胶皮手套。如不慎溅及皮肤，应立即用酒精擦洗或用稀碱水冲洗。若已入口，应立即用温水和氧化镁（３０ｇ／Ｌ）洗胃。飞溅衣服上，立即更换衣服并洗澡，以防渗入皮肤。

其它信息：

1.         性状：白色针状结晶

2.         相对密度（60ºC）：1.383

3.         闪点（ºC）：113

4.         熔点（ºC）：42~43

5.         沸点（ºC）：210

6.         水溶性（g/L,20 ºC）：4.5

7.         溶解性：难溶于水，易溶于乙醇、乙醚、氯仿、苯等有机溶剂。

8.         气相标准声称热(焓)( kJ·mol^-1) ：-165.1   

包装等级：

III

风险类别：

6.1

海关代码：

29081000

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R22;R24;R34;R51/53

安全说明：

S26-S36/37/39-S45-S61-S36/37-S16

RTECS号：

SK8575000

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）。
:

危险标志：

T:Toxic

CHEMICAL IDENTIFICATION

RTECS NUMBER :

SK8575000

CHEMICAL NAME :

Phenol, 2,4-dichloro-

CAS REGISTRY NUMBER :

120-83-2

BEILSTEIN REFERENCE NO. :

0742467

LAST UPDATED :

199806

DATA ITEMS CITED :

34

MOLECULAR FORMULA :

C6-H4-Cl2-O

MOLECULAR WEIGHT :

163.00

WISWESSER LINE NOTATION :

QR BG DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

47 mg/kg

TOXIC EFFECTS :

Behavioral - food intake (animal) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

430 mg/kg

TOXIC EFFECTS :

Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Nutritional and Gross Metabolic - body temperature increase

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1730 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 :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1276 mg/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

153 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 :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

3160 mg/kg

TOXIC EFFECTS :

Behavioral - food intake (animal) Lungs, Thorax, or Respiration - pulmonary emboli Liver - other changes

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

2 gm/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 :

Oral

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

464 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 :

Administration onto the skin

SPECIES OBSERVED :

Mammal - species unspecified

DOSE/DURATION :

790 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 :

91 gm/kg/13W-C

TOXIC EFFECTS :

Blood - changes in bone marrow (not otherwise specified)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

31770 mg/kg/90D-C

TOXIC EFFECTS :

Behavioral - fluid intake Blood - changes in cell count (unspecified) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

437 gm/kg/13W-C

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

67200 mg/kg/14D-C

TOXIC EFFECTS :

Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

16 gm/kg/39W-I

TOXIC EFFECTS :

Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

20 mg/kg

SEX/DURATION :

female 1-20 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

7500 mg/kg

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

7500 mg/kg

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

666 mg/kg

SEX/DURATION :

female 6-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

MUTATION DATA

TYPE OF TEST :

Sex chromosome loss and nondisjunction

TEST SYSTEM :

Rodent - hamster Lung

DOSE/DURATION :

500 umol/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 182,135,1987 *** REVIEWS *** IARC Cancer Review:Human Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 41,319,1986 TOXICOLOGY REVIEW STEVA8 Science of the Total Environment. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1972- Volume(issue)/page/year: 2,305,1974 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4154 No. of Facilities: 6 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 63 (estimated) No. of Female Employees: 23 (estimated)

毒理学数据：

对人的皮肤和眼睛有刺激性，其尘埃对人的呼吸系统也有刺激性。属较低毒性物质。老鼠急性口服LD50为0.58g/kg。具有腐蚀性，能引起烧伤。

生态数据：

对水生物有毒。可能对水环境引起不利的结果。

分子结构数据

1、   摩尔折射率：37.92

2、   摩尔体积（cm³/mol）：111.7       

3、   等张比容（90.2K）：294.0

4、   表面张力（dyne/cm）：47.8

5、   介电常数：

6、   偶极距（10^-24cm³）：

7、   极化率15.03

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:1

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:3

6.拓扑分子极性表面积20.2

7.重原子数量:9

8.表面电荷:0

9.复杂度:97.1

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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  4-二氯苯酚质谱(MS)
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  2
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  4-二氯苯酚核磁图(¹³CNMR)
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  2
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  4-二氯苯酚红外图谱(IR1)
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