2,4,5-涕酸丁酯

  • 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
  • 表征图谱

2,4,5-涕酸丁酯 基本信息

中文名称:
2,4,5-涕酸丁酯 
中文别名:
2,4,5-涕酸丁酯;
2,4,5-涕酸-1-丁酯;
2,4,5-涕酸正丁酯 
英文名称:
Acetic acid,2-(2,4,5-trichlorophenoxy)-, butyl ester
英文别名:
2,4,5-T-butyl;
butyl 2-(2,4,5-trichlorophenoxy)acetate;
2,4,5-T n-butyl ester;
butyl (2,4,5-trichlorophenoxy)acetate 
CAS No.:
93-79-8
分 子 式:
C12H13Cl3O3
分 子 量:
311.59
精确分子量:
309.99300
PSA:
35.53000
EINECS:
202-277-5
InChI:
The Key: FNEXNZUHBCBQTI-UHFFFAOYSA-N
分子结构式:
SDS:
查看

2,4,5-涕酸丁酯 物化性质

密度:
1.324g/cm3
沸点:
371.9ºC at 760 mmHg
闪点:
142.2ºC
折射率:
1.528
存储条件/存储方法:
库房通风低温干燥

2,4,5-涕酸丁酯 安全信息

海关代码:
2918990090

2,4,5-涕酸丁酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ8485000
CHEMICAL NAME :
Acetic acid, (2,4,5-trichlorophenoxy)-, butyl ester
CAS REGISTRY NUMBER :
93-79-8
BEILSTEIN REFERENCE NO. :
2336131
LAST UPDATED :
199710
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C12-H13-Cl3-O3
MOLECULAR WEIGHT :
311.60
WISWESSER LINE NOTATION :
GR BG DG EO1VO4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2 mg/kg
SEX/DURATION :
female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Effects on Newborn - live birth index (measured after birth)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
200 ug/kg
SEX/DURATION :
female 7-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
2 mg/kg
SEX/DURATION :
female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
748 mg/kg
SEX/DURATION :
female 11-13 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1246 mg/kg
SEX/DURATION :
female 12-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
120 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
740 mg/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
TYPE OF TEST :
Cytogenetic analysis

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
10 ug/kg
REFERENCE :
ECBUDQ Ecological Bulletins. (Editorial Service of FRN, Box 6710, S-11385, Stockholm, Sweden) No.19- 1975- Volume(issue)/page/year: 27,182,1978

2,4,5-涕酸丁酯 海关数据

中国海关编码:2918990090

概述:
2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

2,4,5-涕酸丁酯 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:72.55

2、  摩尔体积(cm3/mol):235.3

3、  等张比容(90.2K):595.2

4、  表面张力(dyne/cm):40.9

5、  极化率(10-24cm3):28.76

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积35.5

7.重原子数量:18

8.表面电荷:0

9.复杂度:263

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

2,4,5-涕酸丁酯 表征图谱

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成都思天德生物科技有限公司

产品介绍:
产品名称:2,4,5-丁基 Cas号:93-79-8 纯度: 包装信息:洽谈 价格:洽谈
联系方式:
联系人:陈飞霞 电话:028-65026008 手机:18380203628