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经验公式(希尔记法):
C6H8N2
化学文摘社编号:
分子量:
108.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
217-360-1
Beilstein/REAXYS Number:
107048
MDL number:
Assay:
98%
Form:
crystals
InChI key
QUXLCYFNVNNRBE-UHFFFAOYSA-N
InChI
1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)
SMILES string
Cc1cccc(N)n1
assay
98%
form
crystals
bp
208-209 °C (lit.)
mp
40-44 °C (lit.)
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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 2 Dermal - Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
217.4 °F - closed cup
flash_point_c
103 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Vidya V M et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 245, 118940-118940 (2020-09-27)
The synthesis of five D-n-A type star-shaped octupolar molecules is presented in the current work. The exploration of the potential applicability of molecules under study in organic optoelectronics as electron or hole transporting materials is carried out by DFT methods.
Mohanad Darawsheh et al.
European journal of medicinal chemistry, 82, 152-163 (2014-06-07)
Starting from the precursor [Zinc Valproate complex] (1), new mixed ligand zinc(II) complexes of valproic acid and nitrogen-based ligands, formulating as, [Zn(valp)22,9-dmphen] (2), [Zn2(valp)4(quin)2] (3), [Zn(valp)2(2-ampy)2] (4), and [Zn(valp)2(2-ampic)2] (5) (valp = valproate, 2,9-dmphen = 2,9-dimethyl-1,10-phenanthroline, quin = quinoline, 2-ampy
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