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2,5-Cyclohexadiene-1,4-dione,2,3,5-trimethyl-

2,5-Cyclohexadiene-1,4-dione,2,3,5-trimethyl-


  • 中文别名:2,3,5-三甲基-2,5-环己二烯-1,4-二酮
  • 中文释义:2,3,5-三甲基-2,5-环己二烯-1,4-二酮;2,3,5-三甲基苯醌;2,3,5-三甲基-1,4-苯醌;2,3,6-三甲基对苯醌;三甲基对苯醌
  • 英文别名:2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione;
    2,3,5-trimethylbenzo-1,4-quinone;
    Cumoquinone;
    p-Pseudocumoquinone;
    Trimethyl-p-quinone;
    2,3,6-trimethyl-p-benzoquinone;
    Trimethyl-p-benzoquinone;
    2,3,6-trimethyl-1,4-benzoquinone;
    Trimethyl-1,4-benzoquinone;
    Trimethylbenzoquinone;
    Trimethylquinone;
    Pseudocumoquinone;
    2,3,5-trimethyl-p-benzoquinone;
    2,3,5-Trimethyl-1,4-benzoquinone 
  • CAS No.:935-92-2
  • 分子式:

    C9H10O2

  • 分子量:150.18
  • 精确分子量:150.06800
  • PSA:34.14000
  • InChI:InChI=1/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3
  • 分子结构式:

物化性质

密度:
1.072g/cm3
沸点:
215.3ºC at 760mmHg
闪点:
77.3ºC
折射率:
1.501
稳定性相关:

1. 存在于烟气中。

其它信息:

1. 熔点(ºC):27~28

2. 沸点(ºC):215

安全信息

密度:
1.072g/cm3
沸点:
215.3ºC at 760mmHg
闪点:
77.3ºC
折射率:
1.501
稳定性相关:

1. 存在于烟气中。

其它信息:

1. 熔点(ºC):27~28

2. 沸点(ºC):215

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU4709600
CHEMICAL NAME :
2,5-Cyclohexadien-1,4-dione, 2,3,5-trimethyl-
CAS REGISTRY NUMBER :
935-92-2
LAST UPDATED :
199710
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C9-H10-O2

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 :
200 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545315
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0291-1191
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545315
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Skin and Appendages - hair
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545315
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0529741-1
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0291-1191

海关数据

中国海关编码:2914690090

概述:
2914690090 其他醌. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
摘要/Summary:
2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率:41.25

2、 摩尔体积(cm3/mol):139.9

3、 等张比容(90.2K):335.2

4、 表面张力(dyne/cm):32.8

5、 极化率(10-24cm3):16.35

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:18

6.拓扑分子极性表面积34.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:293

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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