3-Methyl-1,2-Butadiene 3-甲基-1,2-丁二烯
CAS 598-25-4 MFCD00008896
化学结构图
SMILES: CC(C)=C=C
化学属性
| Mol. Formula | C5H8 |
|---|---|
| Mol. Weight | 68.12 |
| Density | 0.694 g/mL at 25 °C(lit.) |
| Refractive index | 1.4180 to 1.4210 |
| Flash Point | -12°C(lit.) |
| TSCA | No |
| Boiling Point | 40°C |
| Melting Point | -148 °C(lit.) |
| Vapor Pressure | 6.87 psi ( 20 °C) |
别名和识别编码
| Chemical Name | 3-Methyl-1,2-Butadiene |
|---|---|
| Synonym | unsym-Dimethylallene 2-Methyl-2,3-butadiene 3-甲-1,2-丁二烯 unsym-dimthylallene 3,3-Dimethylallene 3-methyl-buta-1,2-diene 1,1-二甲基丙二烯 1,2-butadiene, 3-methyl- 1,1-DIMETHYLALLENE 3-METHYL-1,2-BUTADIENE 98% CH2=C=C(CH3)2 1,1-Dimethylallylene 1,2-butadiene,3-methyl- 3,3-DIMETHYLALLENE 1,1-dimethylallene 不對稱二甲基丙二烯 3-甲基-1,2-丁二烯 3-methylbuta-1,2-diene 3-METHYL-1,2-BUTADIENE 3-methyl-1,2-butadiene |
| MDL Number | MFCD00008896 |
| CAS Number | 598-25-4 |
| EC Number | 209-926-1 |
| Beilstein Registry Number | 1,252 |
| PubChem Substance ID | 87572643 |
| Reaxys-RN | 1697090 |
| Chemical Name Translation | 3-甲基-1,2-丁二烯 |
| InChIKey | PAKGDPSCXSUALC-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01743004 |
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分类
- {SNA} Allenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
- {uni_hamburg} no charge; 1fragment
相关文献及参考
- Short: II/25D
- Short: II/6
- {
- Short: II/14a
- Hydroboration with (+)-diisopinocampheylborane gives 3,3-dimethylallyldiisopinocampheylborane, which has been used in the chiral isoprenylation of aldehyde; the reaction was used in the synthesis of artemisia alcohol in 96% ee: Tetrahedron Lett., 25, 1215 (1984).
安全信息
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
- R11 Highly flammable 非常易燃
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐：立即求医并出示该容器或标签；
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
- S37 Wear suitable gloves 戴适当手套；
GHS Symbol
- H315 Causes skin irritation 会刺激皮肤
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
- H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
- H319 Causes serious eye irritation 严重刺激眼睛
- P403+P235
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- P332+P313
- P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
- P370+P378
- P305+P351+P338+P337+P313
其他信息
- MOL 文件:598-25-4.mol
- F:10-23
- 敏感性:Air Sensitive
- Alfa Aesar:3-甲基-1,2-丁二烯,98% 3-Methyl-1,2-butadiene, 98%(598-25-4)
- TCI Shanghai:3-甲基-1,2-丁二烯 3-Methyl-1,2-butadiene,>;97.0%(GC)(598-25-4)
- 3-甲基-1,2-丁二烯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0621 3-甲基-1,2-丁二烯 3-Methyl-1,2-butadiene 1ML 805元 2010/05/25 L10159 3-甲基-1,2-丁二烯, 98% 3-Methyl-1,2-butadiene, 98% 1g 987元
- 蒸气压:6.87 psi ( 20 °C)
- Sigma Aldrich:598-25-4(sigmaaldrich)
- 图谱信息:3-甲基-1,2-丁二烯(598-25-4)质谱(MS) 3-甲基-1,2-丁二烯(598-25-4)红外图谱(IR1) 3-甲基-1,2-丁二烯(598-25-4)核磁图( 1 HNMR) 3-甲基-1,2-丁二烯(598-25-4)核磁图( 13 CNMR)
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