7-CHLOROHEPTANOIC ACID

7-CHLOROHEPTANOIC ACID 基本信息
CAS号 821-57-8 分子式 C7H13ClO2
分子量 164.63000 精确质量  164.06000
PSA  37.30000 LogP  2.26030

基本信息 展开↓

CAS号:
821-57-8
3D弹球模型:
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分子式:
C7H13ClO2
分子量:
164.63000
中文名称:
7-CHLOROHEPTANOIC ACID
英文名称:
7-CHLOROHEPTANOIC ACID
中文别名:
7-CHLOROHEPTANOIC ACID
英文别名:
7-CHLOROHEPTANOIC ACID;
7-chloro-heptanoic acid;
Enantic acid,7-chloro;
7-Chlor-heptansaeure;
Heptanoic acid,7-chloro;
7-chloro-enanthic acid;
Chlorenanthic acid
精确分子量/精确质量:
164.06000
极性分子表面积/PSA:
37.30000
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: IGNBKLCFKTYIRI-UHFFFAOYSA-N

物化性质展开↓

密度:
1.096g/cm3
沸点:
269.8ºC at 760 mmHg
闪点:
117ºC
折射率:
1.457

合成路线查看所有的合成路线

  • 95257-99-1

    95257-99-1

  • ~59%

  • 821-57-8

    7-CHLOROHEPTANOIC ACID

  • 7601-90-3

    高氯酸

  • +

  • 3993-94-0

    1,1,7-trichlorohept-1-ene

  • 821-57-8

    7-CHLOROHEPTANOIC ACID

  • 124-38-9

    二氧化碳

  • +

  • 361541-51-7

    (6-chloro-hexyl)-magnesium bromide

  • 821-57-8

    7-CHLOROHEPTANOIC ACID

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MJ1935000
CHEMICAL NAME :
Heptanoic acid, 7-chloro-
CAS REGISTRY NUMBER :
821-57-8
BEILSTEIN REFERENCE NO. :
1752111
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H13-Cl-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 :
1800 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - muscle weakness Behavioral - tetany
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 27(10),12,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Behavioral - excitement Behavioral - muscle weakness Behavioral - tetany
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 27(10),12,1962
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2200 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 27(10),12,1962 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
22680 mg/kg/11W-I
TOXIC EFFECTS :
Blood - changes in leukocyte (WBC) count
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 27(10),12,1962

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