3,5-bis(bromomethyl)-2,6-dimethyl-1H,7H-[1,2]diazolo[1,2-a]pyrazole-1,7-dione

• ChemBase编号: 156022
• 分子式: C10H10Br2N2O2
• 平均质量: 350.0066
• 单一同位素质量: 347.91090157
• SMILES: Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)CBr
• Canonical SMILES: BrCc1c(C)c(=O)n2n1c(CBr)c(c2=O)C
• InChI: InChI=1S/C10H10Br2N2O2/c1-5-7(3-11)13-8(4-12)6(2)10(16)14(13)9(5)15/h3-4H2,1-2H3
• InChIKey: OSIYFMVMZXJKSP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,5-bis(bromomethyl)-2,6-dimethyl-1H,7H-[1,2]diazolo[1,2-a]pyrazole-1,7-dione
• IUPAC传统名: dBBr
• 别名: Dibromobimane; 3,5-Bis(bromomethyl)-2,6-dimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione; DBBR; NSC 608550; Thiolyte BB; Dibromobimane

登记号

• CAS号: 68654-25-1
• MDL号: MFCD00036952
• Beilstein号: 4189453
• PubChem SID: 24860789; 162250160
• PubChem CID: 125708

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.6017321
• LogD (pH = 7.4): 1.6017321
• Log P: 1.6017321
• 摩尔折射率: 69.3622 cm^3
• 极化性: 25.492624 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: acetonitrile: soluble; chloroform: soluble; Dichloromethane; DMF: soluble; DMSO; Methanol
• 外观: Yellow Solid
• 熔点: >170°C (dec.); 170-172 °C(lit.)
• 荧光: λex 391 nm in methanol; λex 393 nm; λem 477 nm in 0.1 M Tris pH 7.0, gutathione red

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥95.0% (CHN)
• 适用性: suitable for fluorescence
• 产品线: BioReagent
• Empirical Formula (Hill Notation): C10H10Br2N2O2

详细说明

Sigma Aldrich - 34025

Application
suitable as derivatization reagent for thiols
Other Notes
Fluorescent thiol-specific labeling reagent1

Toronto Research Chemicals - D425000

A cross linking reagent for proteins, thiols in myosin, hemoglobin and mitochondrial ATPase.