基本信息
- 标准SMILES
CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F- InChIKey
MGEVGECQZUIPSV-UHFFFAOYSA-N- 分子式
- C12H22F6N6OP2
- 平均分子量
- 442.28 g/mol
- 单同位素质量
- 442.12345231
名称与标识
- 首选名称
- Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium hexafluorophosphate
- IUPAC
- benzotriazol-1-yloxy-tris(dimethylamino)phosphanium hexafluorophosphate
- 中文名
- 卡特缩合剂
- 英文名
- 1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate
- 分子式
- C12H22F6N6OP2
- 分子量
- 442.29
名称与别名
展开更多名称
数据库标识
- CAS
56602-33-6- PubChem CID
- 151348
- DTXSID
DTXSID60205170- UNII
- LBD3UE345W
- EC Number
- 260-279-1
性质
结构计算性质
- 极性表面积
- 49.7 Ų
- 氢键供体
- 0
- 氢键受体
- 13
- 可旋转键
- 5
- 重原子
- 27
- 形式电荷
- 0
- 复杂度
- 368
物理化学性质
- 熔点
- 130 °C · >130 °C (dec.)(lit.)
- 闪点
- 138 °C · 138°C
- 储存条件
- 2 · 2-8°C
- 溶解度
- 25 mg/mL, · methanol: 25 mg/mL, clear
- 形态
- Powder
- 颜色
- White to off-white
- 水溶解性
- Soluble in methanol, acetone and dichloromethane. Insoluble in water.
- 敏感性
- Moisture & Light Sensitive
- Decomposition
- 138 · 138 ºC
- BRN
- 4287025 · 4287025
- 主要应用
- peptide synthesis
- InChI
- InChI=1S/C12H22N6OP.F6P/c1-15(2)20(16(3)4,17(5)6)19-18-12-10-8-7-9-11(12)13-14-18;1-7(2,3,4,5)6/h7-10H,1-6H3;/q+1;-1
- InChIKey
- MGEVGECQZUIPSV-UHFFFAOYSA-N
- SMILES
- [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N(C)C)(N(C)C)(N(C)C)ON1N=NC2C=CC=CC1=2
- CAS 数据库
- 56602 · 56602-33-6(CAS DataBase Reference)
安全与法规
GHS分类
GHS Classification
Danger
H228 (81.8%): Flammable solid [Danger Flammable solids];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (27.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (96.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危害信息
安全数据
- F
- 8-10-21
- wgk
- 3
- hazard_note
- Irritant
- 包装类别
- Ⅱ
- 危险等级
- 4.1
- 存储类别
- 4.1A - Other explosive hazardous materials
- 安全说明
- 24/25-37/39-36-26-35-36/37/39
- 海关编码
- 29339980
- 危险品标志
- Xi,E,F
- 危险性类别
- Flam. Sol. 1Skin Irrit. 2STOT SE 3
- 危险类别码
- 37/38-44-36/37/38-11-2
- 危险品运输编号
- UN 1325 4.1/PG 2
化学与工业
应用领域
用途肽偶联试剂。可用于氨基酸苯基酯的制备,卡特缩合剂在肽合成领域已被证明是有价值的氨基酸封闭衍生物。
上下游产品信息
上游原料
下游产品
试剂价格
- HY-Y0973 · 25 g
- 卡特缩合剂BOP hexafluorophosphate — 100元
- HY-Y0973 · 10 mM * 1 mL in DMSO
- 卡特缩合剂BOP hexafluorophosphate — 110元
供应商50 家
相关反应
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