三羟甲基乙烷三硝酸酯

三羟甲基乙烷三硝酸酯 基本信息
CAS号 3032-55-1 分子式 C5H9N3O9
分子量 255.14000 精确质量  255.03400
PSA  165.15000 LogP  1.18720

基本信息 展开↓

CAS号:
3032-55-1
3D弹球模型:
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分子式:
C5H9N3O9
分子量:
255.14000
中文名称:
三羟甲基乙烷三硝酸酯
英文名称:
[2-methyl-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
中文别名:
三羟甲基乙烷三硝酸酯
英文别名:
[2-methyl-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate;
Trimethylolethane trinitrate;
Nitropentaglycerin;
2-methyl-1,3-bis-nitrooxy-2-nitrooxymethyl-propane;
1,1,1-Trimethylolethane trinitrate;
1,3-Propanediol,2-methyl-2-[(nitrooxy)methyl]-,dinitrate (ester);
Metriol trinitrate;
2-methyl-1,3-bis-nitryloxy-2-nitryloxymethyl-propane;
2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate;
TMETN;
1,1,1-tris(methylol)ethane trinitrate;
1,1,1-tris-nitrooxymethyl-ethane;
2-Methyl-1,3-bis-nitryloxy-2-nitryloxymethyl-propan;
EINECS 221-214-2
精确分子量/精确质量:
255.03400
极性分子表面积/PSA:
165.15000
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:
221-214-2
InChI:
The Key: IPPYBNCEPZCLNI-UHFFFAOYSA-N

物化性质展开↓

密度:
1.513 g/cm3
沸点:
343.8ºC at 760 mmHg
闪点:
159.6ºC
折射率:
1.487

安全信息展开↓

风险类别:
1.1A

合成路线查看所有的合成路线

  • 77-85-0

    1,1,1-三(羟甲基)乙烷

  • ~87%

  • 3032-55-1

    三羟甲基乙烷三硝酸酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY7270000
CHEMICAL NAME :
1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, trinitrate (ester)
CAS REGISTRY NUMBER :
3032-55-1
BEILSTEIN REFERENCE NO. :
1714870
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C5-H9-N3-O9

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 :
1027 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - muscle contraction or spasticity Behavioral - irritability
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,610,1993
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
658 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - tremor Behavioral - muscle contraction or spasticity
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,610,1993
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology, Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1- 1990- Volume(issue)/page/year: 12,608,1993

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