1,2,3,4,5-pentachloro-6-nitrobenzene

• ChemBase编号: 80337
• 分子式: C6Cl5NO2
• 平均质量: 295.3347
• 单一同位素质量: 292.83716665
• SMILES: [N+](=O)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)[O-]
• Canonical SMILES: Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
• InChIKey: LKPLKUMXSAEKID-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2,3,4,5-pentachloro-6-nitrobenzene
• IUPAC传统名: pentachloronitrobenzene
• 别名: 土粒散; 五氯硝基苯; 硝基五氯苯 溶液; 五氯硝基苯; 硝基五氯苯; PENTACHLORONITROBENZENE; 1,2,3,4,5-pentachloro-6-nitrobenzene; Pentachloronitrobenzene; PCNB; quintozene; Quintozene solution; Pentachloronitrobenzene; Quintozene

登记号

• CAS号: 82-68-8
• EC号: 201-435-0; 200-659-6
• MDL号: MFCD00007065
• Beilstein号: 1914324
• PubChem SID: 24867995; 24869365; 162067457; 24898950; 24898935; 24898289; 24869195
• PubChem CID: 6720
• CHEMBL: 468759
• Chemspider ID: 6464
• 维基百科标题: Pentachloronitrobenzene

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.9334536
• LogD (pH = 7.4): 4.9334536
• Log P: 4.9334536
• 摩尔折射率: 56.4025 cm^3
• 极化性: 22.263044 Å^3
• 极化表面积: 43.14 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 0.44 mg/L in water; slightly soluble in alcohols
• 外观: light yellow; off-white or yellow crystals; off-white to tan crystalline powder; powder
• 熔点: 140-143 °C(lit.); 142 - 143°C; 144°C; 44°C
• 沸点: 328 °C, decomposes; 328°C
• 闪点: 11 °C; 51.8 °F
• 疏水性(logP): 4.93

安全信息

• RTECS编号: DA6650000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3077
• 德国WGK号: 1; 2
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 11-23/24/25-39/23/24/25; 43-50/53; R:22-43-36/37/38
• 安全公开号: 13-24-37-60-61; 7-16-36/37-45; S:24/25-26-36/37/39
• GHS危险品标识: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H301-H311-H331-H370; H317-H410
• GHS警示性声明: P210-P260-P280-P301 + P310-P311; P273-P280-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)
• RID/ADR: UN 1230 3/PG 2; UN 3077 9/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥94%; ≥94% (GC); 95%; 95+%; 98%; 99% (GC)
• 浓度: 100 ng/μL in methanol
• 级别: analytical standard; PESTANAL®, analytical standard
• 包装: ampule of 1000 mg
• 适用性: plant cell culture tested
• Empirical Formula (Hill Notation): C6Cl5NO2

详细说明

MP Biomedicals - 05220907

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P8556

Application
Pentachloronitrobenzene (PCNB) is used as a fungicide to suppress the growth of fungi in selective culture media such as Nash and Snyder medium (NS).
Protocols & Applications
Antibiotic Selector for application, solubility, solution stability, working concentration, and mode of action information

Sigma Aldrich - 45653

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

Sigma Aldrich - P2205

包装
5, 100, 500 g in glass bottle

Sigma Aldrich - 45900

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