3D Mol Similar

2-Amino-5-iodopyridine

Iupac Name：5-iodopyridin-2-amine

CAS No.: 20511-12-0

Molecular Weight：220.013

Modify Date.: 2022-10-28 10:20

Introduction: Light yellow needles View more+

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1. Names and Identifiers

1.1 Name: 2-Amino-5-iodopyridine
1.2 Synonyms: (5-Iodopyridin-2-yl)amine 2--5- aMinopyridine iodide 2-Amino-5-iodo pyridine 2-PYRIDINAMINE, 5-IODO- 2-Pyridinamine,5-iodo 5-iod-2-pyridinamin 5-Iodo-2-aminopyridine 5-Iodo-2-pyridinamine 5-iodo-2-pyridinylamine 5-IODOPYRIDIN-2-AMINE 5-iodopyridin-2-amine(SALTDATA: FREE) 5-Iodo-pyridin-2-ylamine 6-Amino-3-iodopyridine ASISCHEM U79390 BUTTPARK 153\33-57 MFCD00160312 NSC 31592 Pyridine, 2-amino-5-iodo- Pyridine,2-amino-5-iodo

1.3 CAS No.: 20511-12-0

1.4 CID: 88579

1.5 EINECS(EC#): 000-000-0

1.6 Molecular Formula: C5H5IN2 (isomer)

1.7 Inchi: InChI=1S/C5H5IN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)

1.8 InChkey: IVILGUFRMDBUEQ-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=NC=C1I)N

1.10 Isomers Smiles: C1=CC(=NC=C1I)N

2. Properties

2.1 Density: 2.055

2.1 Melting point: 127-131℃

2.1 Boiling point: 293.8 °C at 760 mmHg

2.1 Refractive index: 1.703

2.1 Flash Point: 131.5 °C

2.1 Precise Quality: 219.95000

2.1 PSA: 38.91000

2.1 logP: 1.84960

2.1 Appearance: light yellow to gray solid

2.2 Storage: Light Sensitive. Ambient temperatures.

2.3 Chemical Properties: Light yellow needles 2-Amino-5-iodopyridineSupplier

2.4 pKa: 4.91±0.13(Predicted)

2.5 Water Solubility: Insoluble

2.6 StorageTemp: 0-10°C

3. Safety and Handling

3.1 Hazard Codes: Xi

3.1 Risk Statements: R36/37/38

3.1 Safety Statements: S26;S37/39

3.1 WGK Germany: 3

3.1 Safety: Hazard Codes:?Xi,Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant

3.2 Sensitive: Light Sensitive

3.3 Specification: ? 2-Amino-5-iodopyridine , with CAS number of 20511-12-0, can be called 2-pyridinamine, 5-iodo- ; 5-Iod-2-pyridinamin ; 5-Iodo-2-pyridinamine ; 5-Iodopyridin-2-amine . It is a?light yellow needle.

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Synthesis Route

20511-12-0Total: 11 Synthesis Route

504-29-0 203 Suppliers

20511-12-0 258 Suppliers

Literatures:
Martinez-Urbina, Miguel Angel; Zentella, Alejandro; Vilchis-Reyes, Miguel Angel; Guzman, Angel; Vargas, Omar; Ramirez Apan, Maria Teresa; Ventura Gallegos, Jose Luis; Diaz, Eduardo European Journal of Medicinal Chemistry, 2010 , vol. 45, # 3 p. 1211 - 1219
Yield: ~83%

110-86-1 85 Suppliers

20511-12-0 258 Suppliers

Literatures:
Yakugaku Zasshi, , vol. 50, p. 727,729 Chem.Abstr., , p. 5326
Yield: null

504-29-0 203 Suppliers

20511-12-0 258 Suppliers

23597-15-1 20 Suppliers

Literatures:
Heterocycles, , vol. 22, # 5 p. 1195 - 1210
Yield: ~11%

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6. Precursor and Product

precursor:

7553-56-2

157020-27-4

1072-97-5

110-86-1

504-29-0

148292-02-8

46224-49-1

product :

25391-59-7

444120-93-8

444120-95-0

444120-91-6

351019-18-6

33421-40-8

13472-61-2

444120-94-9

116195-81-4

952901-62-1

209971-49-3

171197-80-1

223463-14-7

690258-22-1

214360-62-0

94805-52-4

69045-79-0

214958-33-5

73290-22-9

13472-79-2

107351-82-6

82454-61-3

4214-73-7

214958-35-7

697300-73-5

View all

7. Computational chemical data

Molecular Weight: 220.013g/mol
Molecular Formula: C₅H₅IN₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 219.94975
Monoisotopic Mass: 219.94975
Complexity: 76.8
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 38.9
Heavy Atom Count: 8
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBjAAAAAgAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAwAAAACADDEgQ9sJJIEACgADJnZACCgCkxAiAI2CA4ZJiIIOLAkZGEIAhgkALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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