1,1,1-三氯-2-丙醇

1,1,1-三氯-2-丙醇 基本信息
CAS号 76-00-6 分子式 C3H5Cl3O
分子量 163.43000 精确质量  161.94100
PSA  20.23000 LogP  1.73740

基本信息 展开↓

CAS号:
76-00-6
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分子式:
C3H5Cl3O
分子量:
163.43000
中文名称:
1,1,1-三氯-2-丙醇
英文名称:
1,1,1-trichloropropan-2-ol
中文别名:
1,1,1-三氯-2-丙醇
英文别名:
1,1,1-trichloropropan-2-ol;
2,2,2-Trichloro-1-methylethanol;
2-Propanol,1,1,1-trichloro;
1,1,1-Trichloro-2-propanol;
Isopral;
1,1,1-Trichlor-propan-2-ol;
1,1,1-Trichloroisopropyl alcohol;
1,1,1-trichloro-propan-2-ol;
EINECS 200-924-6;
Trichloro-2-propanol;
Trichloroisopropanol
精确分子量/精确质量:
161.94100
极性分子表面积/PSA:
20.23000
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。
InChI:
The Key: HCMBPASAOZIEDZ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.483g/cm3
沸点:
164.7ºC at 760 mmHg
闪点:
82.2ºC
折射率:
1.492

合成路线查看所有的合成路线

  • 67-66-3

    氯仿

  • +

  • 542-10-9

    乙烯二乙酯

  • ~77%

  • 76-00-6

    1,1,1-三氯-2-丙醇

  • 75-16-1

    甲基溴化镁

  • +

  • 75-87-6

    三氯乙醛

  • ~71%

  • 76-00-6

    1,1,1-三氯-2-丙醇

  • 67-66-3

    氯仿

  • +

  • 75-07-0

    乙醛

  • ~54%

  • 76-00-6

    1,1,1-三氯-2-丙醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UB9800000
CHEMICAL NAME :
2-Propanol, 1,1,1-trichloro-
CAS REGISTRY NUMBER :
76-00-6
BEILSTEIN REFERENCE NO. :
1734805
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C3-H5-Cl3-O
MOLECULAR WEIGHT :
163.43
WISWESSER LINE NOTATION :
QY1&XGGG

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 :
1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 63,183,1938
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
HDTU** "Pharmakologische Prufung von Analgetika, Dissertation," Herrlen, G., Pharmakologischen Institut der Universitat Tubingen, Fed. Rep. Ger., 1933 Volume(issue)/page/year: -,-,1933
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
93 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Amphibian - frog
DOSE/DURATION :
143 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig, Ger. Dem. Rep.) Volume(issue)/page/year: 4,1289,1935

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