2-(2,4-dichlorophenoxy)acetic acid

• ChemBase编号: 25664
• 分子式: C8H6Cl2O3
• 平均质量: 221.03744
• 单一同位素质量: 219.96939941
• SMILES: c1(cc(ccc1OCC(=O)O)Cl)Cl
• Canonical SMILES: OC(=O)COc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
• InChIKey: OVSKIKFHRZPJSS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,4-dichlorophenoxy)acetic acid
• IUPAC传统名: rhodia; 2,4-dichlorophenoxyacetic acid
• 别名: 2,4-二氯苯氧乙酸; 2,4-二氯苯氧乙酸; 2,4-二氯苯氧基乙酸; 2,4-Dichlor-phenoxyessigsäure; 2,4-Dichlorophenoxyacetic acid; 2,4-D; hedonal; trinoxol; 2,4-Dichlorophenoxyacetic acid; 2,4-DICHLOROPHENOXYACETIC ACID PRACTICAL GRADE; 2,4-D; 2,4-DICHLORO PHENOXYACETIC ACID; 2-(2,4-Dichlorophenoxy)acetic Acid; Diclordon; Dicopur; Esterone; Fernimine; Foredex 75; (2,4-Dichlorophenoxy)acetic acid; 2,4-Dichlorophenoxyacetic acid; 2-(2,4-Dichlorophenoxy)acetic acid

登记号

• CAS号: 94-75-7
• EC号: 202-361-1
• MDL号: MFCD00004300
• Beilstein号: 1214242
• 默克索引号: 142796
• PubChem SID: 24868891; 24872604; 24894121; 160988971; 24862290; 24894078
• PubChem CID: 1486
• CHEBI ID: 28854
• CHEMBL: 367623
• Chemspider ID: 1441
• KEGG ID: C03664
• 维基百科标题: 2,4-Dichlorophenoxyacetic_acid

理论计算性质

• Acid pKa: 2.81042
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.13017285
• LogD (pH = 7.4): -0.99157256
• Log P: 2.5016472
• 摩尔折射率: 48.2154 cm^3
• 极化性: 19.130342 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: 900 mg/L in water; DMSO; Methanol
• 外观: Off-White Solid; white to light yellow crystalline; white to yellow powder
• 熔点: 135-140 °C; 136-140 °C(lit.); 136-140°C; 139 - 140.5 °C; 139-140.5°C; 139-142°C; 140.5°C
• 沸点: 160 deg. C at 0.4 mm Hg; 160°C (0.4 mm Hg); 160°C/0.4mm
• 密度: .66 g/cm^3 (bulk density); 1.42
• 蒸汽压: 0.4 mmHg ( 160 °C); ca. 1.1E-7 hPa

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• 保存注意事项: IRRITANT
• RTECS编号: AG6825000
• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3077; 3345
• 德国WGK号: 3
• 联合国危险货物等级: 6.1; 9
• 联合国危险货物包装类别(PG): 3; III
• 澳大利亚Hazchem: 2X
• 危险公开号: 22-37-41-43-52/53; R:22-36/37/38
• 安全公开号: 24/25-26-36/37/39-46-61; S:36/37
• 欧盟危险货物分类: T7
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 153
• TSCA收录: false; 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H302-H317-H318-H335-H412; H318-H302-H312-H317-H335-H402-H412
• GHS警示性声明: P261-P273-P280-P305 + P351 + P338; P280-P262-P273-P301+P310-P305+P351+P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

产品相关信息

• 纯度: ≥97.0% (T); ≥98%; 97%; 98%
• 级别: analytical standard; PESTANAL®, analytical standard; PRACTICAL; purum
• 包装: ampule of 1000 mg
• 适用性: plant cell culture tested
• 线性分子式: Cl2C6H3OCH2CO2H

详细说明

MP Biomedicals - 02101553

Off-white to tan crystals.
CAUTION: POISONOUS!

Sigma Aldrich - D70724

包装
100 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 31518

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

Sigma Aldrich - 45415

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

Toronto Research Chemicals - D435680

Herbicide. Used to increase latex output of old rubber trees.

参考文献

• Rowe, V.K., et al.: Am. J. Vet. Res., 15, 622 (1954)
• Way, J.M., et al.: Residue Rev., 26, 37 (1954)