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909036-46-0

Basic Information
CAS No.: 909036-46-0
Name: 4-Pyridinamine,2-chloro-3-iodo-
Article Data: 18
Cas Database
Molecular Structure:
Molecular Structure of 909036-46-0 (4-Pyridinamine,2-chloro-3-iodo-)
Formula: C5H4ClIN2
Molecular Weight: 254.458
Synonyms: 2-CHLORO-3-IODOPYRIDIN-4-AMINE;2-Chloro-3-iodo-4-aminopyridine;4-Amino-2-chloro-3-iodopyridine;4-PyridinaMine, 2-chloro-3-iodo-
EINECS: N/A
Density: 2.139g/cm3
Melting Point: 116-117℃
Boiling Point: 377.042 °C at 760 mmHg
Flash Point: 181.829 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 22
Safety:
Transport Information: N/A
PSA: 38.91000
LogP: 2.50300
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Specification

The 4-Pyridinamine,2-chloro-3-iodo-, with CAS registry number 909036-46-0, has the systematic name of 2-chloro-3-iodo-pyridin-4-amine. And its IUPAC name is the same one. The chemical formula of this chemical is C5H4ClIN2.

Physical properties of 4-Pyridinamine,2-chloro-3-iodo-: (1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.986; (4)ACD/LogD (pH 7.4): 2.988; (5)ACD/BCF (pH 5.5): 109.505; (6)ACD/BCF (pH 7.4): 109.815; (7)ACD/KOC (pH 5.5): 1002.498; (8)ACD/KOC (pH 7.4): 1005.338; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.708; (14)Molar Refractivity: 46.382 cm3; (15)Molar Volume: 118.961 cm3; (16)Polarizability: 18.387×10-24cm3; (17)Surface Tension: 65.738 dyne/cm; (18)Enthalpy of Vaporization: 62.476 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(c(c1N)I)Cl
(2)InChI: InChI=1/C5H4ClIN2/c6-5-4(7)3(8)1-2-9-5/h1-2H,(H2,8,9)
(3)InChIKey: BYVMKCHHWASQFN-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C5H4ClIN2/c6-5-4(7)3(8)1-2-9-5/h1-2H,(H2,8,9)
(5)Std. InChIKey: BYVMKCHHWASQFN-UHFFFAOYSA-N