2-Chloro-6-methyl-3-pyridinecarbonitrile
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2-Chloro-6-methyl-3-pyridinecarbonitrile
structure -
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CAS No:
28900-10-9
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Formula:
C7H5ClN2
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Chemical Name:
2-Chloro-6-methyl-3-pyridinecarbonitrile
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Synonyms:
BUTTPARK 153\57-09;IFLAB-BB F3250-0678;AKOS BBS-00008244;2-CHLORO-3-CYANO-6-METHYLPYRIDINE;2-CHLORO-6-METHYL-3-PYRIDINECARBONITRILE;2-CHLORO-6-METHYLNICOTINONITRILE;TIMTEC-BB SBB006618;2-CHLORO-3-CYANO-6-METHYLPYRIDINE 99%
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CAS No:
2-Chloro-6-methyl-3-pyridinecarbonitrile Basic Attributes
152.58
152.014130
120414
DTXSID60334338
29333990
Characteristics
36.7
1.9
light yellow to brown cryst. flakes or needles
1.3±0.1 g/cm3
114-116 °C(lit.)
140-145 °C(lit.)
122.0±25.9 °C
1.555
0.00434mmHg at 25°C
Safety Information
III
6.1
3276
3
20/21/22-36/37/38
26-37/39-36/37/39-22
Xn,T
Toxic
P261-P280-P305 + P351 + P338
H302-H312-H315-H319-H332-H335
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-6-methyl-3-pyridinecarbonitrile Use and Manufacturing
Step 1 A solution of (I) (1.34 g, 0.01 mol) in phosphorus oxychloride (10 mL) was refluxed for 4 h. The solid obtained afterpouring onto ice water was recrystallized from ethanol togive compound (II). Yield 93percent; mp 114.5°C. IR: 3049(CH arom.), 2929, 2843 (CH aliph.), 2229 (C≡N), 1585 (2C=N), 736 (C–Cl). 1H NMR: 2.4 (s, 3H, CH3), 7.6–8.8 (m, 2H, ArH). 13C NMR: 23.0, 108.7, 116.8, 121.7, 145.3, 152.6, 161.9. MS, m/z (percent): 152 (M+)(12.4312), 125 (100). Calcd. for C7H5ClN2 (152.58):C, 55.10; H, 3.30; N, 18.36. Found: C, 55.43; H, 3.02;N, 18.71.
Computed Properties
Molecular Weight:152.58
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Exact Mass:152.0141259
Monoisotopic Mass:152.0141259
Topological Polar Surface Area:36.7
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-6-methyl-3-pyridinecarbonitrile
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