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钛酸丁酯
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 结构与计算化学
- 上游产品
- 下游产品
钛酸丁酯 基本信息
- 中文名称：
- 钛酸丁酯
- 中文别名：
- 氯氟甲烷
- 英文名称：
- Methane, chlorofluoro-(6CI,8CI,9CI)
- 英文别名：
- Chlorofluoromethane;
monofluorobenzene;
1-fluorobenzene;
o-di-fluorobenzene;
FLUOROBOROXIN;
Monofluorboroxin;
4-fluorobenzene;
Fluorochloromethane;
2-fluorobenzene;
p-fluorobenzene;
monofluoro boroxine;
monofluorochloromethane;
monochloromonofluoromethane
- CAS No.：
- 593-70-4
- 分 子 式：
- CH2ClF
- 分 子 量：
- 68.48
- 精确分子量：
- 67.98290
- PSA：
- 0.00000
- InChI：
- The Key: XWCDCDSDNJVCLO-UHFFFAOYSA-N
- 分子结构式：
-
- SDS：
- 查看
钛酸丁酯 物化性质
- 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
钛酸丁酯 毒理性
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)
钛酸丁酯 分子结构与计算化学数据
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
