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About This Item
Empirical Formula (Hill Notation):
C4H6N2
CAS Number:
Molecular Weight:
82.10
UNSPSC Code:
12352005
NACRES:
NA.22
PubChem Substance ID:
EC Number:
212-497-3
Beilstein/REAXYS Number:
1453
MDL number:
Assay:
98%
Quality Segment
assay
98%
bp
263 °C (lit.)
mp
44-47 °C (lit.)
solubility
H2O: soluble, clear, colorless to yellow (50 mg/mL)
SMILES string
Cc1c[nH]cn1
InChI
1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChI key
XLSZMDLNRCVEIJ-UHFFFAOYSA-N
General description
4(5)-Methylimidazole was quantified in coffee by GC-MS method.
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signalword
Danger
flash_point_f
314.6 °F - closed cup
flash_point_c
157 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Carc. 1B - Repr. 1B
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
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