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About This Item
经验公式（希尔记法）:
C5H4F3N3O
CAS号:
分子量:
179.10
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22
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化驗
97%
mp
289.5-293.5 °C (lit.)
SMILES 字串
Nc1nc(O)cc(n1)C(F)(F)F
InChI
1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)
InChI 密鑰
ZEPSVMLZBXDPGU-UHFFFAOYSA-N
一般說明
Optimized molecular geometry, force constants and vibrational frequencies of 2-amino-4-hydroxy-6-trifluoromethylpyrimidine (AHFMP) have been evaluated by density functional theory (DFT).[1]
訊號詞
Warning
危險聲明
危險分類
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
標靶器官
Respiratory system
儲存類別代碼
11 - Combustible Solids
水污染物質分類（WGK）
WGK 3
閃點（°F）
Not applicable
閃點（°C）
Not applicable
個人防護裝備
dust mask type N95 (US), Eyeshields, Gloves
Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment.
Krishnakumar, V., and N. Prabavathi.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 71(2), 449-457 (2008)
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