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- 三磷酸(2,6-二甲基苯基)酯
三磷酸(2,6-二甲基苯基)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
- 上游产品
三磷酸(2,6-二甲基苯基)酯 基本信息
- 中文名称:
- 三磷酸(2,6-二甲基苯基)酯
- 中文别名:
- 三磷酸(2,6-二甲基苯基)酯
- 英文名称:
- Phenol, 2,6-dimethyl-,phosphate (3:1)
- 英文别名:
- tris(2,6-dimethylphenyl) phosphate;
TRIS(2,6-XYLENYL)PHOSPHATE;
Tri(2,6-xylenyl)phosphate;
2,6-dimethyl-phenol;
2,6-Xylenol,phosphate (3:1);
Tri(2,6-dimethylphenyl) phosphate;
Tri-2,6-xylyl phosphate;
Phosphorsaeure-tris-(2,6-dimethyl-phenylester);
2,6-Dimethylphenol phosphate (3:1);
phosphoric acid 2,6-xylyl ester;
phosphoric acid tris-(2,6-dimethyl-phenyl ester);
Tris(2,6-dimethylphenyl)phosphate
- CAS No.:
- 121-06-2
- 分 子 式:
- C24H27O4P
- 分 子 量:
- 410.48
- 精确分子量:
- 410.16500
- PSA:
- 54.57000
- InChI:
- The Key: QLORRTLBSJTMSN-UHFFFAOYSA-N
- 安全术语:
- Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of POx.
- 分子结构式:
-
- SDS:
- 查看
三磷酸(2,6-二甲基苯基)酯 物化性质
- 密度:
- 1.154g/cm3
- 熔点:
- 137.8ºC
- 沸点:
- 433.9ºC at 760 mmHg
- 闪点:
- 229.6ºC
- 折射率:
- 1.569
- 蒸汽压:
- 2.51E-07mmHg at 25°C
三磷酸(2,6-二甲基苯基)酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SL2235300
- CAS REGISTRY NUMBER :
- 121-06-2
- BEILSTEIN REFERENCE NO. :
- 3491836
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C24-H27-O4-P
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 :
- >15800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
41,291,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >7900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
41,291,1977
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Bird - chicken
- DOSE/DURATION :
- >1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year:
41,291,1977
三磷酸(2,6-二甲基苯基)酯 海关数据
中国海关编码:2919900090
- 概述:
- HS:2919900090 其他磷酸酯及其盐(包括乳磷酸盐)(包括它们的卤化,磺化,硝化和亚硝化衍生物) 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%
- 申报要素:
- 品名, 成分含量, 用途
- 监管条件:
- A.入境货物通关单B.出境货物通关单
- 检验检疫:
- R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
- 摘要/Summary:
- 2919900090 other phosphoric esters and their salts, including lactophosphates; their halogenated, sulphonated, nitrated or nitrosated derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%
三磷酸(2,6-二甲基苯基)酯 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率:116.62
2、 摩尔体积(cm3/mol):355.5
3、 等张比容(90.2K):906.1
4、 表面张力(dyne/cm):42.2
5、 极化率(10-24cm3):46.23
计算化学数据
1.疏水参数计算参考值(XlogP):7.2
2.氢键供体数量:0
3.氢键受体数量:4
4.可旋转化学键数量:6
5.互变异构体数量:无
6.拓扑分子极性表面积44.8
7.重原子数量:29
8.表面电荷:0
9.复杂度:461
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