3-[2-氯-4-(三氟甲基)苯氧基]苯甲酸

3-[2-氯-4-(三氟甲基)苯氧基]苯甲酸 基本信息
CAS号 63734-62-3 分子式 C14H8ClF3O3
分子量 316.66000 精确质量  316.01100
PSA  46.53000 LogP  4.84930

基本信息 展开↓

CAS号:
63734-62-3
3D弹球模型:
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分子式:
C14H8ClF3O3
分子量:
316.66000
中文名称:
3-[2-氯-4-(三氟甲基)苯氧基]苯甲酸
英文名称:
3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid
中文别名:
3-[2-氯-4-(三氟甲基)苯氧基]苯甲酸;
3-(2-氯-4-三氟甲基苯氧基)苯甲酸
英文别名:
3-[2-chloro-4-(trifluoromethyl)phenoxy]benzoic acid;
EINECS 264-433-9
精确分子量/精确质量:
316.01100
极性分子表面积/PSA:
46.53000
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。
EINECS:
264-433-9
InChI:
InChI=1/C14H8ClF3O3/c15-11-7-9(14(16,17)18)4-5-12(11)21-10-3-1-2-8(6-10)13(19)20/h1-7H,(H,19,20)

物化性质展开↓

密度:
1.452g/cm3
沸点:
374ºC at 760mmHg
闪点:
180ºC
折射率:
1.55

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG5643065
CHEMICAL NAME :
Benzoic acid, 3-(2-chloro-4-(trifluoromethyl)phenoxy)-
CAS REGISTRY NUMBER :
63734-62-3
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C14-H8-Cl-F3-O3
MOLECULAR WEIGHT :
316.67

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0537702 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1170 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0537709
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3400 mg/m3/4H
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0537702
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 gm/kg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0537709

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