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二甲基亚甲基磺酸酯
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
二甲基亚甲基磺酸酯 基本信息
- 中文名称：
- 二甲基亚甲基磺酸酯
- 中文别名：
- 二甲基亚甲基磺酸酯
- 英文名称：
- Methanediol,1,1-dimethanesulfonate
- 英文别名：
- methylsulfonyloxymethyl methanesulfonate;
MDMS;
METHANEDIOL,DIMETHANESULFONATE;
bis-methanesulfonyloxy-methane;
Methylene dimethane sulfonate;
Bis-methansulfonyloxy-methan;
Methanesulfonic acid,methylene ester;
Methylene bis(methanesulfonate)
- CAS No.：
- 156-72-9
- 分 子 式：
- C3H8O6S2
- 分 子 量：
- 204.23
- 精确分子量：
- 203.97600
- PSA：
- 103.50000
- InChI：
- The Key: IQLZWWDXNXZGPK-UHFFFAOYSA-N
- 安全术语：
- Poison by intraperitoneal route. An experimental teratogen. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of SOx. See also SULFONATES.
- 分子结构式：
-
- SDS：
- 查看
二甲基亚甲基磺酸酯 物化性质
- 密度：
- 1.537g/cm3
- 沸点：
- 428.3ºC at 760 mmHg
- 闪点：
- 212.8ºC
- 折射率：
- 1.469
- 蒸汽压：
- 3.84E-07mmHg at 25°C
二甲基亚甲基磺酸酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- PA8925000
- CHEMICAL NAME :
- Methanediol, dimethanesulfonate
- CAS REGISTRY NUMBER :
- 156-72-9
- BEILSTEIN REFERENCE NO. :
- 1785371
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 14
- MOLECULAR FORMULA :
- C3-H8-O6-S2
- MOLECULAR WEIGHT :
- 204.23
- WISWESSER LINE NOTATION :
- WS1&O1OSW1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 25 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 3500 ug/kg
- SEX/DURATION :
- male 7 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - male fertility index (e.g. # males impregnating
females per # males exposed to fertile nonpregnant females)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 15 mg/kg
- SEX/DURATION :
- female 15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - germ cell effects (in offspring)
Reproductive - Effects on Newborn - delayed effects
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 15 mg/kg
- SEX/DURATION :
- female 13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 15 mg/kg
- SEX/DURATION :
- female 15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
Reproductive - Effects on Newborn - delayed effects
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 15 mg/kg
- SEX/DURATION :
- male 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - male fertility index (e.g. # males impregnating
females per # males exposed to fertile nonpregnant females)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 15 mg/kg
- SEX/DURATION :
- male 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Parenteral
- DOSE :
- 15 mg/kg
- SEX/DURATION :
- male 1 day(s) pre-mating
- TOXIC EFFECTS :
- Reproductive - Fertility - male fertility index (e.g. # males impregnating
females per # males exposed to fertile nonpregnant females)
- TYPE OF TEST :
- Dominant lethal test
- TYPE OF TEST :
- DNA damage
- TYPE OF TEST :
- Dominant lethal test
MUTATION DATA
- TYPE OF TEST :
- DNA damage
- TEST SYSTEM :
- Mammal - species unspecified Cells - not otherwise
specified
- DOSE/DURATION :
- 250 umol/L
- REFERENCE :
- CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland
Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year:
38,119,1981
二甲基亚甲基磺酸酯 海关数据
中国海关编码：2904100000
- 概述：
- 2904100000 仅含磺基的衍生物及其盐和乙酯。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2904100000 derivatives containing only sulpho groups, their salts and ethyl esters。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
二甲基亚甲基磺酸酯 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：37.04
2、 摩尔体积（cm3/mol）：132.8
3、 等张比容（90.2K）：357.2
4、 表面张力（dyne/cm）：52.2
5、 极化率（10-24cm3）：14.68
计算化学数据
1.疏水参数计算参考值（XlogP）:-0.8
2.氢键供体数量:0
3.氢键受体数量:6
4.可旋转化学键数量:4
5.互变异构体数量:无
6.拓扑分子极性表面积104
7.重原子数量:11
8.表面电荷:0
9.复杂度:254
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
