六六六

六六六 基本信息
CAS号 608-73-1 分子式 C6H6Cl6
分子量 290.83000 精确质量 　287.86000
PSA 　0.00000 LogP 　3.64440

等价的CAS号：

608-73-1,119911-70-5
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目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 化学图谱 毒性 结构与计算数据 上下游

基本信息 展开↓

CAS号：
608-73-1
3D弹球模型：
立即前往扯扯看
分子式：
C6H6Cl6
分子量：
290.83000
中文名称：
六六六
英文名称：
hexachlorocyclohexane
中文别名：
六六六;
林丹;
氯代环烷烃;
灵丹;
六氯环已烷;
1,2,3,4,5,6-六氯环已烷
英文别名：
hexachlorocyclohexane;
1,2,3,4,5,6-hexachlorocyclo-hexane;
HCH;
hexachloro-2,3,4,5,6,6 cyclohexadiene-2,4 one-1;
Hexachloro-C6one;
hexachloro-cyclohexadienone;
2,3,4,5,6,6-hexachloro-2,4-cyclohexadiene-1-one;
2,3,4,5,6,6-hexachloro-2,4-cyclohexadienone;
hexachloran;
benzene hexachloride;
2,2,3,4,5,6-hexachloro-cyclohexa-2,4-dien-1-one;
BHC;
hexachlor;
Hexachlorocyclohexane;
2,3,4,5,6,6-hexachloro-2,4-cyclohexadien-1-one
精确分子量/精确质量：
287.86000
极性分子表面积/PSA：
0.00000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00003825
EINECS：
206-270-8
InChI：
The Key: JLYXXMFPNIAWKQ-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法

气相色谱分析标准。有机合成。杀虫剂。

用途简介

物化性质展开↓

密度：
1.59g/cm3
熔点：
141.5ºC
沸点：
288ºC at 760 mmHg
闪点：
157.5ºC
折射率：
1.532
存储条件/存储方法：
库房通风低温干燥,与氧化剂(硝铵)、食品添加剂分开存放
稳定性相关：

性质与稳定性：

常温常压下，或不分解产物。

安全信息展开↓

包装等级：
III
危险类别码：
21-25-40-50/53-64-48/22-20/21
安全说明：
22-36/37-45-60-61

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化学图谱

  1. 六六六质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV3150000
CHEMICAL NAME :
Cyclohexane, 1,2,3,4,5,6-hexachloro-
CAS REGISTRY NUMBER :
608-73-1
BEILSTEIN REFERENCE NO. :
1907331
LAST UPDATED :
199806
DATA ITEMS CITED :
53
MOLECULAR FORMULA :
C6-H6-Cl6
MOLECULAR WEIGHT :
290.82
WISWESSER LINE NOTATION :
L6TJ AG BG CG DG EG FG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
400 ug/kg/3D
TOXIC EFFECTS :
Behavioral - headache Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - body temperature increase
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
690 mg/m3/4H
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 :
Rodent - rat
DOSE/DURATION :
900 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 :
59 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 - rabbit
DOSE/DURATION :
75 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 - guinea pig
DOSE/DURATION :
1400 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 :
Bird - chicken
DOSE/DURATION :
597 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - quail
DOSE/DURATION :
120 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 :
Bird - wild bird species
DOSE/DURATION :
56 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 :
2500 mg/kg/90D-C
TOXIC EFFECTS :
Liver - other changes Endocrine - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
750 mg/kg/15D-I
TOXIC EFFECTS :
Liver - other changes Kidney, Ureter, Bladder - other changes Biochemical - Metabolism (Intermediary) - other proteins
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
650 mg/kg/65W-I
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - retinal changes (pigmentary depositions, retinitis, other) Nutritional and Gross Metabolic - weight loss or decreased weight gain Nutritional and Gross Metabolic - conditioned vitamin deficiency
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
3 gm/kg/30D-I
TOXIC EFFECTS :
Liver - fatty liver degeneration Kidney, Ureter, Bladder - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - multiple enzyme effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6720 mg/kg/80W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Blood - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1600 mg/kg/80W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg/80W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors Blood - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12600 mg/kg/30W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12960 mg/kg/26W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
21600 mg/kg/52W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5400 mg/kg/13W-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7200 mg/kg/17W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9 gm/kg/21W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10800 mg/kg/26W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7200 mg/kg/17W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10800 mg/kg/26W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
8100 mg/kg
SEX/DURATION :
male 90 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
9120 mg/kg
SEX/DURATION :
male 22 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5460 mg/kg
SEX/DURATION :
male 91 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
875 mg/kg/7W (Intermittent)
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 5,479,1984 *** REVIEWS *** IARC Cancer Review:Animal Sufficient 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: 5,47,1974 TOXICOLOGY REVIEW AABIAV Annals of Applied Biology. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1914- Volume(issue)/page/year: 35,505,1948 TOXICOLOGY REVIEW ECMAAI Economie et Medecine Animales. (Paris, France) V.1-17, 1960-76. Discontinued. Volume(issue)/page/year: 14,141,1973 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.5 mg/m3;Skin JAN 1993 OEL-BELGIUM:TWA 0.5 mg/m3;Skin JAN 1993 OEL-DENMARK:.TWA 5 mg/m3;Skin JAN 1993 OEL-DENMARK:TWA 0.5 mg/m3;Skin JAN 1993 OEL-DENMARK:TWA 0.5 mg/m3;Skin;Carcinogen JAN 1993 OEL-FINLAND:TWA 0.5 mg/m3;Skin;Carcinogen JAN 1993 OEL-FRANCE:TWA 0.5 mg/m3;Skin JAN 1993 OEL-GERMANY:TWA 0.5 mg/m3;Skin JAN 1993 OEL-HUNGARY:TWA 0.5 mg/m3;STEL 0.1 mg/m3;Skin JAN 1993 OEL-POLAND:TWA 0.05 mg/m3 JAN 1993 OEL-RUSSIA:STEL 0.05 mg/m3;Skin JAN 1993 OEL-RUSSIA:STEL 0.1 mg/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 0.5 mg/m3;Skin JAN 1993 OEL-UNITED KINGDOM:TWA 0.5 mg/m3;STEL 1.5 mg/m3;Skin JAN 1993
生态数据：

三、生态学数据：

1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

分子结构与计算化学数据展开↓

分子结构数据

五、分子性质数据：

1、   摩尔折射率：56.64

2、   摩尔体积（m3/mol）：182.5

3、   等张比容（90.2K）：462.0

4、   表面张力（dyne/cm）：61.0

5、 极化率（10-24cm3）：22.45

计算化学数据

四、计算化学数据：

1、   疏水参数计算参考值（XlogP）：3.8

2、   氢键供体数量：0

3、   氢键受体数量：0

4、   可旋转化学键数量：0

5、   拓扑分子极性表面积（TPSA）：0

6、   重原子数量：12

7、   表面电荷：0

8、   复杂度：104

9、   同位素原子数量：0

10、   确定原子立构中心数量：0

11、   不确定原子立构中心数量：0

12、   确定化学键立构中心数量：0

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：1

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