2-Amino-4-(trifluoromethyl)pyrimidine 4-三氟甲基-2-氨基嘧啶
CAS 16075-42-6 MFCD00828624
化学结构图
SMILES: NC1=NC(=CC=N1)C(F)(F)F
化学属性
| Mol. Formula | C5 |
|---|---|
| Mol. Weight | 163 |
| Melting Point | 174.0 to 178.0 deg-C |
| TSCA | No |
别名和识别编码
| Chemical Name | 2-Amino-4-(trifluoromethyl)pyrimidine |
|---|---|
| CAS Number | 16075-42-6 |
| Alfabeta Name | TRIFLUOROMETHYLPYRIMIDINAMINE 42()--- |
| MDL Number | MFCD00828624 |
| Synonym | 4-(Trifluoromethyl)-2-pyrimidinamine 2-氨基-4-(三氟甲基)嘧啶 4-Trifluoromethyl-2-pyrimidinamine |
| Chemical Name Translation | 4-三氟甲基-2-氨基嘧啶 |
| PubChem Substance ID | 160871432 |
| Reaxys-RN | 909556 |
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分类
- {SNA} Building Blocks, C4 to C5, Chemical Synthesis, Heterocyclic Building Blocks, Pyrimidines
- {KO} AminesPrimary
安全信息
- 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；
- S37 Wear suitable gloves 戴适当手套；
- S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- R50 Very toxic to aquatic organisms 对水生生物极毒
- R25 Toxic if swallowed 吞咽有毒
- R36 Irritating to eyes 刺激眼睛
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P273 Avoid release to the environment. 避免释放到环境中。
- 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。
- P301+P310
- P302+P352+P332+P313+P362+P364
- P305+P351+P338
- P305+P351+P338+P337+P313
- P342+P311
- H300 Fatal if swallowed 吞食致命
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
- H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
0
H-bond Donors
1
LogP
1
