2-(2,4,5-trichlorophenoxy)acetic acid

• ChemBase编号: 125215
• 分子式: C8H5Cl3O3
• 平均质量: 255.4825
• 单一同位素质量: 253.93042706
• SMILES: Clc1cc(OCC(=O)O)c(Cl)cc1Cl
• Canonical SMILES: OC(=O)COc1cc(Cl)c(cc1Cl)Cl
• InChI: InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
• InChIKey: SMYMJHWAQXWPDB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,4,5-trichlorophenoxy)acetic acid
• IUPAC传统名: fortex
• 别名: 2,4,5-三氯苯氧基乙酸; 2,4,5-三氯苯氧基乙酸; 2,4,5-三氯苯氧基乙酸 溶液; 2,4,5-T 溶液; 2,4,5-T; 2,4,5-Trichlorophenoxyacetic acid; 2,4,5-T; Trioxone; 2,4,5-Trichlorophenoxyacetic acid; 2,4,5-Trichlorophenoxyacetic acid; 2-(2,4,5-Trichlorophenoxy)acetic acid; 2-(2,4,5-Trichlorophenoxy)acetic Acid; (2,4,5-Trichlorophenoxy)acetic Acid; Arbokan; BCF-Bushkiller; Forst U 46; Fortex; NSC 430; Trichlorophenoxyacetic acid; Trioxon; Verton 2T; 2,4,5-Trichlorophenoxyacetic acid solution; 2,4,5-T solution

登记号

• CAS号: 93-76-5
• EC号: 202-273-3; 200-835-2
• MDL号: MFCD00004301
• PubChem SID: 24870084; 24869217; 162219565; 24900316
• PubChem CID: 1480
• CHEBI ID: 27903
• CHEMBL: 194458
• Chemspider ID: 1435
• KEGG ID: C07100
• 美国药典/FDA物质标识码: 9Q963S4YMX
• 维基百科标题: 2,4,5-Trichlorophenoxyacetic_acid

理论计算性质

• Acid pKa: 2.5614908
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.26583555
• LogD (pH = 7.4): -0.4029709
• Log P: 3.105692
• 摩尔折射率: 53.0202 cm^3
• 极化性: 21.135532 Å^3
• 极化表面积: 46.53 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 238 mg/kg (30 °C) in water
• 外观: off-white to yellow crystalline; Off-white to yellow crystalline solid
• 熔点: 154-158 °C; 154-158 °C(lit.)
• 闪点: 2 °C; 35.6 °F
• 密度: 1.80 g/cm3, 20 °C

安全信息

• RTECS编号: AJ8400000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1648; 2811
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3; 6.1
• 联合国危险货物包装类别(PG): 2; 3
• 危险公开号: 11-20/21/22-36; 22-36/37/38-50/53
• 安全公开号: 16-36/37; 24-60-61
• GHS危险品标识: GHS02; GHS07; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H302-H312-H319-H332; H302-H315-H319-H335-H410
• GHS警示性声明: P210-P280-P305 + P351 + P338; P261-P273-P305 + P351 + P338-P501
• 个人保护装置: 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
• RID/ADR: UN 1648 3/PG 2; UN 2811 6.1/PG 3
• 保存温度: 2-8°C

药理学性质

• 相关基因信息: rat ... Ar(24208)

产品相关信息

• 纯度: ≥95%; 95+%
• 浓度: 100 ng/μL in acetonitrile
• 级别: PESTANAL®, analytical standard
• 适用性: plant cell culture tested
• 线性分子式: Cl3C6H2OCH2CO2H

详细说明

Sigma Aldrich - T5785

包装
25 g in glass bottle
Biochem/physiol Actions
2,4,5-Trichlorophenoxyacetic acid (2,4,5-T) is a synthetic plant hormone (auxin) that promotes processes such as somatic embryogenesis and selective gene transcription. It is also a herbicide that defoliates broad-leafed plants. 2,4,5-T together with 2,4-D comprises the defoliant Agent Orange.

Sigma Aldrich - 46367

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

Sigma Aldrich - 45667

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

Toronto Research Chemicals - T774155

It is suitable for plant cell culture tested. Post-emergence herbicide.

参考文献

• Smith, J., et al.: Science, 203, 1090 (1979)
• Salunkhe, C., et al.: Plant Cell Reports, 18, 670 (1979)
• Jheng, F., et al.: Plant Sci., 170, 1133 (1979)