CAS 1582-09-8|tristar|2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|Trifluralin|Agreflan|2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylaniline...

基本信息

化学结构

分子式

C₁₃H₁₆F₃N₃O₄

分子量

335.2790496

精确质量

335.10929067

电荷

InChI

InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3

InChIKey

ZSDSQXJSNMTJDA-UHFFFAOYSA-N

Canonic Smiles

CCCN(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])CCC

Isomeric Smiles

N(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])(CCC)CCC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.597767

LogD (pH = 7.4)

4.5977674

Log P

4.5977674

摩尔折射率

79.6549

极化性

27.656332

极化表面积

94.88

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC传统名

tristar 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

IUPAC标准名

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

别名

2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)anilineTrifluralinAgreflan2,6-Dinitro-4-(trifluoromethyl)-N,N-dipropylanilineBrassixElancolanTrifloranTristarTrilanNitranZeltoxoneTrigardAgriflanBiobarrierL 36352Triflurom2,6-二硝基-N,N-二丙基-4-三氟甲基苯胺氟乐灵2,6-Dinitro-N,N-dipropyl-4-trifluoromethylanilineTriflurotoxOlitrefTreflan氟乐灵溶液TefralinTrifsan2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamineTriflurexTrifluralinTrifluralin solutionα,α,α-Trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidineBayonet2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)anilineAgriflan 24Trefanocide

名称和标识

数据登录号

MDL号

PubChem CID

CAS号

CHEMBL

美国药典/FDA物质标识码

Chemspider ID

KEGG ID

维基百科标题

PubChem SID

16208089124869513248992162486768624869268

Beilstein号

1893555

EC号

200-835-2216-428-8

数据登录号

化合物性质

安全信息

500 mg/kg (rat, oral)

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

呼吸道过敏，类别1

生殖细胞突变，类别1A，1B，2

致癌性，类别1A，1B，2

生殖毒性，类别1A，1B，2

特定目标器官毒性 – 一次接触，类别1,2

特定目标器官毒性 – 反复接触，类别1,2

吸入危险，类别1

药理学性质

Reported to inhibit selectively differentiation of Leishmania mexicana amazonensis in-vitro

Selective inhibitor of proliferation of Leishmania mexicana amazonensis in-vitro

Reported to bind specifically to Leishmania tubulin

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

Wikipedia

Trifluralin

Sigma Aldrich

32061

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

45913

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

TRC

T793550

Pre-emergence herbicide used for grass control in crops.

描述信息

参考文献

PubChem文献

数据源提供

• Goldenthal, et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971)

• Robens, J.F., et al.: Vet. Hum. Toxicol., 22, 328 (1971)

• U.S. Pat., 1962, 3 257 190; CA, 65, 13606f

• Dolan, J.W. et al., Anal. Chem., 1977, 49, 326, (hplc)

• Dangerous Prop. Ind. Mater. Rep., 1990, 10, 74, (rev, tox)

• Pesticide Manual, 9th edn., 1991, No. 12120

• Droppa, M. et al., Z. Naturforsch., C, 1981, 36, 853, (activity)

• Erkog, F.U. et al., J. Agric. Food Chem., 1985, 33, 1061, (metab)

• Agrochemicals Handbook, 3rd edn., Royal Society of Chemistry, 1992, A412

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DUV600

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

tristar 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

IUPAC标准名

2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline

别名

数据登录号

MDL号

PubChem CID

CAS号

CHEMBL

美国药典/FDA物质标识码

Chemspider ID

KEGG ID

维基百科标题

PubChem SID

16208089124869513248992162486768624869268

Beilstein号

EC号

描述信息

32061

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

45913

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

TRC

T793550

Pre-emergence herbicide used for grass control in crops.

参考文献

PubChem文献

数据源提供

• Goldenthal, et al.: Toxicol. Appl. Pharmacol., 18, 185 (1971)

• Robens, J.F., et al.: Vet. Hum. Toxicol., 22, 328 (1971)

• U.S. Pat., 1962, 3 257 190; CA, 65, 13606f

• Dolan, J.W. et al., Anal. Chem., 1977, 49, 326, (hplc)

• Dangerous Prop. Ind. Mater. Rep., 1990, 10, 74, (rev, tox)

• Pesticide Manual, 9th edn., 1991, No. 12120

• Droppa, M. et al., Z. Naturforsch., C, 1981, 36, 853, (activity)

• Erkog, F.U. et al., J. Agric. Food Chem., 1985, 33, 1061, (metab)

• Agrochemicals Handbook, 3rd edn., Royal Society of Chemistry, 1992, A412

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, DUV600

生物活性

PubChem BioAssay

化合物性质

安全信息

500 mg/kg (rat, oral)

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

呼吸道过敏，类别1

生殖细胞突变，类别1A，1B，2

致癌性，类别1A，1B，2

生殖毒性，类别1A，1B，2

特定目标器官毒性 – 一次接触，类别1,2

特定目标器官毒性 – 反复接触，类别1,2

吸入危险，类别1

药理学性质

Reported to inhibit selectively differentiation of Leishmania mexicana amazonensis in-vitro

Selective inhibitor of proliferation of Leishmania mexicana amazonensis in-vitro

Reported to bind specifically to Leishmania tubulin

化合物信息

ID:94236