carbononitridic bromide

• ChemBase编号: 105469
• 分子式: CBrN
• 平均质量: 105.9214
• 单一同位素质量: 104.92141101
• SMILES: BrC#N
• Canonical SMILES: BrC#N
• InChI: InChI=1S/CBrN/c2-1-3
• InChIKey: ATDGTVJJHBUTRL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: carbononitridic bromide
• IUPAC系统名: Bromidonitridocarbon
• IUPAC传统名: cyanogen bromide
• 别名: 氰化溴; 溴化氰; 溴化氰 溶液; Cyanogen bromide; Bromocyan; Bromocyanide; Bromocyanogen; Campilit; Cyanobromane; Cyanobromide; Bromine Monocyanide; NSC 89684; Bromine cyanide; CYANOGEN BROMIDE; Cyanogen bromide solution

登记号

• CAS号: 506-68-3
• EC号: 208-051-2
• MDL号: MFCD00011597
• Beilstein号: 1697296
• 默克索引号: 142693
• PubChem SID: 162092811; 24893137; 24855824; 24871758; 24861007; 24850222
• PubChem CID: 10476
• Chemspider ID: 10044
• 医学主题词(MeSH): Cyanogen+Bromide
• 维基百科标题: Cyanogen_bromide

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.675621
• LogD (pH = 7.4): 0.675621
• Log P: 0.675621
• 摩尔折射率: 15.3908 cm^3
• 极化性: 5.6303854 Å^3
• 极化表面积: 23.79 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Reacts in water
• 外观: Colorless crystals; Crystalline; White Low Melting Solid
• 熔点: 49-52 °C (120-124 °F); 50 - 53°C; 50-52°C; 50-53 °C(lit.)
• 沸点: 61 - 62°C; 61.4°C; 61-62 °C (142-144 °F); 61-62 °C(lit.)
• 闪点: 42.8 °F; 6 °C
• 密度: 1.093 g/mL at 25 °C; 1.443 g/mL at 25 °C; 2.0 (water = 1); 2.015; 2.015 g mL^-1
• 蒸汽压: 100 mmHg ( 22.6 °C); 16.2 kPa; 92 mm Hg (12.3 kPa) at 20 °C
• 蒸汽密度: 3.6 (air = 1); 3.65 (vs air)
• 标准摩尔生成焓 (ΔfH^o298): 136.1–144.7 kJ mol^-1

安全信息

• 保存条件: 2-8°C, Store Under Nitrogen; Refrigerator, Under Inert Atmosphere
• RTECS编号: GT2100000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 1889; 3384; 3390; UN1889
• 德国WGK号: 3
• 联合国危险货物等级: 6.1; 8
• 联合国危险货物包装类别(PG): 1; I; Truck Only (Not for Export)
• 澳大利亚Hazchem: 2XE
• 危险公开号: 11-26/27/28-32-34-50/53; 26/27/28-32-34-40-51/53; 26/27/28-32-34-50/53; R:35; R26/27/28, R34, R50/53
• 安全公开号: 16-26-28-36/37/39-45-61; 26-28-36/37/39-45-61; 7-26-28-29-36/37/39-45-60-61; 7-28-29-45-60-61; S:26-27/28-36/37/39-46-64; S36/37/39, S45
• 欧盟危险货物分类: TC2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 157
• TSCA收录: 是
• GHS危险品标识: GHS corrosion; GHS environment; GHS skull and crossbones; GHS02; GHS05; GHS06; GHS08; GHS09
• GHS警示词: DANGER; Danger
• NFPA704:
  

  0

  4

  1
• OSHA最大允许暴露浓度: 5 mg m^-3
• GHS危险声明: 300, 310, 314, 330, 410; H225-H300-H310-H314-H330-H410; H300 +H310 + H330-H314-H410; H300-H310-H330-H400-H410; H300-H311-H314-H330-H351-H411
• GHS警示性声明: 260, 273, 280, 284, 302+350; P210-P260-P264-P273-P280-P284; P260-P264-P273-P280-P284-P301 + P310; P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1889 6.1/PG 1; UN 3384 6.1/PG 1; UN 3390 6.1/PG 1
• 欧盟补充危害声明: Contact with acids liberates very toxic gas.
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (RT); ≥98.5% (RT); 97%; 99.995% trace metals basis
• 浓度: 3.0 M in methylene chloride; 5.0 M in acetonitrile
• 级别: purum; reagent grade
• 线性分子式: BrCN

详细说明

MP Biomedicals - 02190314

Reagent for selective peptide cleavage.

Sigma Aldrich - 16772

Other Notes
用于选择性断裂肽键（如蛋氨酸）的试剂1,2

Sigma Aldrich - C91492

Application
用于肽的断裂1和用于蛋白质固化过程。2与 C60Ph5Cl 反应生成新型苯代异喹啉并[3′,4′:1,2][60]富勒烯。3
包装
25, 100, 500 g in glass bottle

Sigma Aldrich - 261610

包装
100 mL in Sure/Seal™

Sigma Aldrich - 481432

Application
与 C60P 5Cl 反应生成新型苯代异喹啉并[3′,4′:1,2][60]富勒烯。1

Sigma Aldrich - 341894

包装
100 mL in glass bottle

参考文献

• Methods in Enzymology , XI : 238 (1967).
• AVAILABLE IN USA ONLY
• NOT FOR EXPORT
• Source of electrophilic cyanide. Reagent for the von Braun cleavage of tertiary amines: Org. React., 7, 198 (1953), for example demethylation of tertiary amines: J. Am .Chem. Soc., 89, 1942 (1967). For use in the cleavage of 2-trimethylsilylethyl sulfides in the prepaparation of nucleoside thiocyanates, see: J. Org. Chem., 67, 1898 (2002), and references therein. For a brief feature on its uses in synthesis, see: Synlett, 1638 (2005).