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About This Item
Empirical Formula (Hill Notation):
C6H7ClN2
CAS Number:
Molecular Weight:
142.59
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
InChI
1S/C6H7ClN2/c1-2-5-3-8-6(7)9-4-5/h3-4H,2H2,1H3
SMILES string
CCc1cnc(Cl)nc1
InChI key
BGLLZQRUXJGTAD-UHFFFAOYSA-N
assay
97%
refractive index
n20/D 1.521 (lit.)
bp
223 °C (lit.)
density
1.174 g/mL at 25 °C (lit.)
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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239. The Dimroth rearrangement. Part I. Some alkylated 2-iminopyrimidines.
Brown DJ and Harper JS.
Journal of the Chemical Society, 1276-1284 (1963)
Bobby N Glover et al.
The Journal of organic chemistry, 75(11), 3904-3907 (2010-04-30)
A unique buffering effect of various bases, i-Pr(2)NEt and CaCO(3) in particular, was observed for the acid-catalyzed chloro displacement of 2-chloro-5-ethylpyrimidine with a 2-methyl-2-phenylpropanamine. The use of the carefully chosen bases was essential for the progression of the chloro displacement
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