4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one
- 中文别名：热必斯
- 中文释义：四氯苯酞;氯百杀;热必斯;稻瘟酞
- 英文别名：4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one;
4,5,6,7-tetrachloro-1(3H)-isobenzofuranone;
phthalide;
4,5,6,7-tetrachloroisobenzofuran-1(3H)-one;
fthalide;
1(3H)-4,5,6,7-tetrachloroisobenzofuranone;
4,5,6,7-Tetrachlor-phthalid;
PHH;
Rabcide;
KF-32;
4,5,6,7-tetrachloro-3H-2-benzofuran-1-one;
Phthalide,4,5,6,7-tetrachloro;
Fthalide
- CAS No.：27355-22-2
- 分子式：C8H2Cl4O2
- 分子量：271.91200
- 精确分子量：269.88100
- PSA：26.30000
- InChI：The Key: NMWKWBPNKPGATC-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1.767g/cm3
- 熔点：
- 209-210ºC
- 沸点：
- 464.4ºC at 760mmHg
- 闪点：
- 215.8ºC
- 折射率：
- 1.635
- 蒸汽压：
- 8.38E-09mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开储运
- 稳定性相关：
避免接触强氧化剂，强碱
在试验剂量内，未发现致癌、致畸、致突变作用。对兔皮肤和眼睛无刺激作用。
- 其它信息：
1. 性状： 白色晶体。
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：209～210
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：未确定
9. 比旋光度（º）：未确定
10. 自燃点或引燃温度（ºC）：未确定
11. 蒸气压（kPa,25ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：未确定
13. 燃烧热（KJ/mol）：未确定
14. 临界温度（ºC）：未确定
15. 临界压力（KPa）：未确定
16. 油水（辛醇/水）分配系数的对数值：未确定
17. 爆炸上限（%,V/V）：未确定
18. 爆炸下限（%,V/V）：未确定
19. 溶解性：未确定
安全信息
- 密度：
- 1.767g/cm3
- 熔点：
- 209-210ºC
- 沸点：
- 464.4ºC at 760mmHg
- 闪点：
- 215.8ºC
- 折射率：
- 1.635
- 蒸汽压：
- 8.38E-09mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开储运
- 稳定性相关：
避免接触强氧化剂，强碱
在试验剂量内，未发现致癌、致畸、致突变作用。对兔皮肤和眼睛无刺激作用。
- 其它信息：
1. 性状： 白色晶体。
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：209～210
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：未确定
7. 折射率：未确定
8. 闪点（ºC）：未确定
9. 比旋光度（º）：未确定
10. 自燃点或引燃温度（ºC）：未确定
11. 蒸气压（kPa,25ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：未确定
13. 燃烧热（KJ/mol）：未确定
14. 临界温度（ºC）：未确定
15. 临界压力（KPa）：未确定
16. 油水（辛醇/水）分配系数的对数值：未确定
17. 爆炸上限（%,V/V）：未确定
18. 爆炸下限（%,V/V）：未确定
19. 溶解性：未确定
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- TI3870000
- CHEMICAL NAME :
- Phthalide, 4,5,6,7-tetrachloro-
- CAS REGISTRY NUMBER :
- 27355-22-2
- BEILSTEIN REFERENCE NO. :
- 0182477
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C8-H2-Cl4-O2
- MOLECULAR WEIGHT :
- 271.90
- WISWESSER LINE NOTATION :
- T56 BVO DHJ FG GG HG IG
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 :
- 20 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- 85ARAE "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revision Volume(issue)/page/year: 4,73,1976/1977
- TYPE OF TEST :
- LC - Lethal concentration
- ROUTE OF EXPOSURE :
- Inhalation
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >4100 mg/m3
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 15,311,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (36),32,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9780 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (36),32,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (36),32,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (36),32,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (40),32,1982
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (36),32,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPIFAN Japan Pesticide Information. (Japan Plant Protection Assoc., 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) No.1-61, 1969-92. For publisher information, see AGJAEP. Volume(issue)/page/year: (36),32,1979 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 273 gm/kg/13W-C
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 15,311,1990
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2190 gm/kg/2Y-C
- TOXIC EFFECTS :
- Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - weight loss or decreased weight gain Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
- REFERENCE :
- NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 15,311,1990
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 546 gm/kg/13W-C
- TOXIC EFFECTS :
- Liver - other changes Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
- REFERENCE :
- NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 15,311,1990
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4380 gm/kg/2Y-C
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
- REFERENCE :
- NNGADV Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. (Nippon Noyaku Gakkai, 1-43-11, Komagome, Toshima-ku, Tokyo 170, Japan) V.1- 1976- Volume(issue)/page/year: 15,311,1990
- 毒理学数据：
对大、小鼠急性经口LD50> 10000mg/kg，急性经皮LD50 > 10000mg /kg 。急性无作用剂量每天2000mg /kg ,最大安全浓度为2000mg /kg ,最小中毒浓度为10000mg /kg。鲤鱼LC50 > 135mg/L (320mg/L) (48h)。对鸟低毒，对蜜蜂、家蚕低毒。
海关数据
中国海关编码：2932209013
- 概述：
- 2932209013 蝇毒磷,茴蒿素,溴敌隆,呋酰胺等〔包括四氯苯酞,畜虫磷〕。监管条件:S(进出口农药登记证明)。增值税率:17.0%。退税率:0.0%。最低关税:6.5%。普通关税:20.0%
- 摘要/Summary：
- 2932209013 4,5,6,7-tetrachloroisobenzofuran-1(3h)-one。supervision conditions:s(import or export registration certificate for pesticides)。VAT:17.0%。tax rebate rate:0.0%。MFN tarrif:6.5%。general tariff:20.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：355.13
2、 摩尔体积（cm3/mol）：153.8
3、 等张比容（90.2K）：426.4
4、 表面张力（dyne/cm）：59.0
5、 极化率（10-24cm3）：21.85
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26.3
7.重原子数量:14
8.表面电荷:0
9.复杂度:260
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
