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About This Item
Empirical Formula (Hill Notation):
C6H8N2
CAS Number:
Molecular Weight:
108.14
Beilstein:
107048
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
98%
form
crystals
bp
208-209 °C (lit.)
mp
40-44 °C (lit.)
SMILES string
Cc1cccc(N)n1
InChI
1S/C6H8N2/c1-5-3-2-4-6(7)8-5/h2-4H,1H3,(H2,7,8)
InChI key
QUXLCYFNVNNRBE-UHFFFAOYSA-N
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Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 2 Dermal - Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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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