4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide

• ChemBase编号: 156490
• 分子式: C13H13ClN4O2S
• 平均质量: 324.78592
• 单一同位素质量: 324.04477436
• SMILES: Cc1ccc(cc1)c1c(nc(n1S(=O)(=O)N(C)C)C#N)Cl
• Canonical SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
• InChI: InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3
• InChIKey: YXKMMRDKEKCERS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide
• IUPAC传统名: 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide
• 别名: 4-氯-1-(二甲基氨基磺酰基)-5-(对甲苯基)咪唑-2-甲腈; 氰霜唑 溶液; 氰霜唑; 4-Chloro-1-(dimethylaminosulfonyl)-5-(p-tolyl)imidazole-2-carbonitrile; Cyazofamid solution; 4-Chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)-1H-imidazole-1-sulfonamide; 4-Chloro-2-cyano-N,N-dimethyl-5-p-tolylimidazole-1-sulfonamide; BAS 54500F; Cyamidazosulfamid; Docious; Fendazosulam; IKF 916; Mildicut; Ranman; Cyazofamid; 4-chloro-2-cyano-n,n-dimethyl-5-(4-methylphenyl)-1h-imidazole-1-sulfonamide; Cyazofamid

登记号

• CAS号: 120116-88-3
• MDL号: MFCD04112761
• PubChem SID: 24860573; 162250628; 24860569
• PubChem CID: 9862076

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.7994323
• LogD (pH = 7.4): 1.7994323
• Log P: 1.7994323
• 摩尔折射率: 81.572 cm^3
• 极化性: 32.65459 Å^3
• 极化表面积: 78.99 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

• 闪点: 39.2 °F; 4 °C

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1294
• 德国WGK号: 2; 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 20/21/22; 63-11-38-48/20-52/53-65-67
• 安全公开号: 16-36/37-61-62; 36
• GHS危险品标识: GHS02; GHS07; GHS08; GHS09
• GHS警示词: Danger; Warning
• GHS危险声明: H225-H304-H315-H336-H361d-H373-H412; H410
• GHS警示性声明: P210-P261-P273-P281-P301 + P310-P331; P273-P501
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1294 3/PG 2
• 保存温度: -20°C

产品相关信息

• 纯度: 97%
• 浓度: 10 ng/μL in toluene
• 级别: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C13H13ClN4O2S

详细说明

Sigma Aldrich - 33878

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

Sigma Aldrich - 33874

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

Toronto Research Chemicals - C987600

Cyazofamid is a imidazole fungicide for use on food crops.

参考文献

• Mitani, S., et al.: Pestic. Biochem. Physiol., 71, 107 (2001)
• Mitani, S., et al.: Agrochem. Jpn., 78, 17 (2001)