美芬诺酮

美芬诺酮 基本信息
CAS号 70-07-5 分子式 C11H13NO4
分子量 223.22500 精确质量  223.08400
PSA  56.79000 LogP  1.51120

基本信息 展开↓

CAS号:
70-07-5
3D弹球模型:
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分子式:
C11H13NO4
分子量:
223.22500
中文名称:
美芬诺酮
英文名称:
5-((2-Methoxyphenoxy)methyl)oxazolidin-2-one
中文别名:
美芬诺酮;
5-[(2-甲氧基苯氧基)甲基]-2-恶唑烷酮
英文别名:
5-((2-Methoxyphenoxy)methyl)oxazolidin-2-one;
5-[(2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
精确分子量/精确质量:
223.08400
极性分子表面积/PSA:
56.79000
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:
200-723-3
InChI:
The Key: ZMNSRFNUONFLSP-UHFFFAOYSA-N

物化性质展开↓

密度:
1.201g/cm3
沸点:
440ºC at 760 mmHg
闪点:
219.9ºC
折射率:
1.52

安全信息展开↓

海关代码:
2934999090

合成路线查看所有的合成路线

  • 124-38-9

    二氧化碳

  • +

  • 943962-56-9

    943962-56-9

  • ~90%

  • 70-07-5

    美芬诺酮

  • 590-28-3

    氰酸钾

  • +

  • 25772-81-0

    25772-81-0

  • ~66%

  • 70-07-5

    美芬诺酮

  • 60420-27-1

    3-propionyl-2-oxazolidinone

  • +

  • 870-63-3

    1-溴-3-甲基-2-丁烯

  • ~10%

  • 70-07-5

    美芬诺酮

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RQ3500000
CHEMICAL NAME :
2-Oxazolidinone, 5-((o-methoxyphenoxy)methyl)-
CAS REGISTRY NUMBER :
70-07-5
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C11-H13-N-O4
MOLECULAR WEIGHT :
223.25
WISWESSER LINE NOTATION :
T5MVOTJ D1OR BO1

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 :
3820 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 6,642,1964
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 134,198,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSDTAP Proceedings of the European Society for the Study of Drug Toxicity. (Princeton, NJ 08540) V.1-15, 1963-74. For publisher information, see PESTD5. Volume(issue)/page/year: 11,212,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RAMAAB Revista de la Asociacion Medica Argentina. (Buenos Aires, Argentina) V.1-89, 1915-76. Discontinued. Volume(issue)/page/year: 74,82,1960 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30330 mg/kg/30D-C
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in ovarian weight
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 4,220,1962
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
18 gm/kg/30D-I
TOXIC EFFECTS :
Behavioral - food intake (animal) Liver - other changes Blood - normocytic anemia
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 4,220,1962
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
87 gm/kg/26W-I
TOXIC EFFECTS :
Behavioral - ataxia Blood - normocytic anemia
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 4,220,1962

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据


1、  摩尔折射率:71.47

2、  摩尔体积(cm3/mol):202.7

3、  等张比容(90.2K):648.4

4、  表面张力(dyne/cm):104.5

5、  极化率(10-24cm3):28.33

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    二氧化碳

  • 590-28-3

    氰酸钾

  • 25772-81-0

    N/A

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