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2-Amino-5-chloropyridine(CAS No. 1072-98-6)

2-Amino-5-chloropyridine C5H5ClN2 (cas 1072-98-6) Molecular Structure

1072-98-6 Structure

Identification and Related Records

【Name】
2-Amino-5-chloropyridine
【Iupac name】
5-chloropyridin-2-amine
【CAS Registry number】
1072-98-6
【Synonyms】
AI3-52448
2-Pyridinamine, 5-chloro-
5-Chloro-2-pyridylamine
【EINECS(EC#)】
214-020-4
【Molecular Formula】
C5H5ClN2 (Products with the same molecular formula)
【Molecular Weight】
128.56
【Inchi】
InChI=1/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
【InChIKey】
MAXBVGJEFDMHNV-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC(=NC=C1Cl)N
【MOL File】
1072-98-6.mol

Chemical and Physical Properties

【Appearance】
similar to white powder crystal
【Density】
1.326 g/cm3
【Melting Point】
134-138℃
【Boiling Point】
127-128℃ (11 mmHg)
【Vapour】
0.0142mmHg at 25°C
【Flash Point】
160℃
【Water】
1 g/L (20℃)
【Solubilities】
1 g/L (20 oC)
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29333999
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:128.5596 [g/mol]
Molecular Formula:C5H5ClN2
XLogP3:1.1
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:128.014126
MonoIsotopic Mass:128.014126
Topological Polar Surface Area:38.9
Heavy Atom Count:8
Formal Charge:0
Complexity:76.8
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R36/37/38
【Safety Statements 】
S26;S37/39
【HazardClass】
IRRITANT
【Hazard Note】

Harmful

Supplier Location

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