氯氟甲烷

氯氟甲烷 基本信息
CAS号 593-70-4 分子式 CH2ClF
分子量 68.47800 精确质量  67.98290
PSA  0.00000 LogP  1.15220

基本信息 展开↓

CAS号:
593-70-4
3D弹球模型:
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分子式:
CH2ClF
分子量:
68.47800
中文名称:
氯氟甲烷
英文名称:
Chlorofluoromethane
中文别名:
氯氟甲烷
英文别名:
Chlorofluoromethane;
monofluorobenzene;
1-fluorobenzene;
o-di-fluorobenzene;
FLUOROBOROXIN;
Monofluorboroxin;
4-fluorobenzene;
Fluorochloromethane;
2-fluorobenzene;
p-fluorobenzene;
monofluoro boroxine;
monofluorochloromethane;
monochloromonofluoromethane
精确分子量/精确质量:
67.98290
极性分子表面积/PSA:
0.00000
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: XWCDCDSDNJVCLO-UHFFFAOYSA-N

物化性质展开↓

密度:
1.106g/cm3
熔点:
-133ºC
沸点:
-9.1ºC
折射率:
1.303
存储条件/存储方法:
库房低温,通风,干燥,防火,防光照

安全信息展开↓

风险类别:
2.2

合成路线查看所有的合成路线

  • 123359-21-7

    1-fluoro-2-methylpropan-2-yl hypochlorite

  • ~53%

  • 74-87-3

    氯甲烷

  • +

  • 593-70-4

    氯氟甲烷

  • +

  • 430-51-3

    氟代丙酮

  • +

  • 3592-43-6

    1-Chlor-1-fluor-2-propanon

  • +

  • 78-95-5

    一氯丙酮

  • +

  • 67-64-1

    丙酮

  • 74-97-5

    溴氯甲烷

  • ~32%

  • 75-10-5

    二氟甲烷

  • +

  • 593-70-4

    氯氟甲烷

  • 75-09-2

    二氯甲烷

  • ~8%

  • 75-10-5

    二氟甲烷

  • +

  • 593-70-4

    氯氟甲烷

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
PA6408000
CHEMICAL NAME :
Methane, chlorofluoro-
CAS REGISTRY NUMBER :
593-70-4
BEILSTEIN REFERENCE NO. :
1730796
LAST UPDATED :
199801
DATA ITEMS CITED :
16
MOLECULAR FORMULA :
C-H2-Cl-F
MOLECULAR WEIGHT :
68.48
WISWESSER LINE NOTATION :
G1F

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12635 mg/m3
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
10000 ppm/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10000 ppm/6H/2W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes Endocrine - other changes Blood - changes in spleen
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
78 gm/kg/1Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Gastrointestinal - tumors

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
10 pph
REFERENCE :
EVSRBT Environmental Science Research. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.1- 1972- Volume(issue)/page/year: 25,91,1982 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 41,229,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 41,229,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-GERMANY;Carcinogen JAN 1993 OEL-HUNGARY:TWA 100 mg/m3;STEL 200 mg/m3 JAN 1993 OEL-SWITZERLAND;Carcinogen JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3008 No. of Facilities: 262 (estimated) No. of Industries: 5 No. of Occupations: 5 No. of Employees: 2705 (estimated) No. of Female Employees: 159 (estimated)

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):1.3

2.氢键供体数量:0

3.氢键受体数量:1

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:0

7.重原子数量:3

8.表面电荷:0

9.复杂度:4.8

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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