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2-Amino-5-chloropyridine structure
2-Amino-5-chloropyridine structure

2-Amino-5-chloropyridine

Iupac Name:5-chloropyridin-2-amine
CAS No.: 1072-98-6
Molecular Weight:128.5596
Modify Date.: 2023-03-06 09:35
Introduction: Production of herbicides, zopiclone, and organic synthesis. View more+
1. Names and Identifiers
1.1 Name
2-Amino-5-chloropyridine
1.2 Synonyms

(5-Chloropyridin-2-yl)amine 2-Amino-5-chloropyridinium 2-Pyridinamine, 5-chloro- 5-Chloro-2-aminopyridine 5-Chloro-2-pyridinamine 5-Chloro-2-pyridineamine 5-Chloro-2-pyridylamine 5-Chloro-α-aminopyridine AI3-52448 NSC 26283 Pyridine, 2-amino-5-chloro- Pyridinium, 2-amino-5-chloro- RP 26695

1.3 CAS No.
1072-98-6
1.4 CID
66174
1.5 EINECS(EC#)
214-020-4
1.6 Molecular Formula
C5H5ClN2 (isomer)
1.7 Inchi
InChI=1S/C5H5ClN2/c6-4-1-2-5(7)8-3-4/h1-3H,(H2,7,8)
1.8 InChkey
MAXBVGJEFDMHNV-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC(=NC=C1Cl)N
1.10 Isomers Smiles
C1=CC(=NC=C1Cl)N
2. Properties
2.1 Density
1.326
2.1 Melting point
134-138℃
2.1 Boiling point
127-128℃ (11 mmHg)
2.1 Refractive index
1.5110 (estimate)
2.1 Flash Point
160℃
2.1 Precise Quality
128.01400
2.1 PSA
38.91000
2.1 logP
1.89840
2.1 Solubility
1.0g/l
2.2 Appearance
similar to white powder crystal
2.3 Storage
Ambient temperatures.
2.4 Chemical Properties
beige to beige-brown crystalline powder
2.5 Color/Form
Beige to beige-brown
2.6 pKa
4.67±0.13(Predicted)
2.7 Water Solubility
1 g/L (20 oC)
2.8 Stability
Stable under normal temperatures and pressures.
2.9 StorageTemp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
3. Use and Manufacturing
3.1 Purification Methods
Recrystallise this base from pet ether. It sublimes at 50o/0.5mm. [Beilstein 22 II 332, 22/8 V 541.] 2-Amino-5-chloropyridine Preparation Products And Raw materials Preparation Products
4. Safety and Handling
4.1 Symbol
GHS07;
4.1 Hazard Codes
Xn
4.1 Signal Word
Warning
4.1 Risk Statements
R22;R36/37/38
4.1 Safety Statements
S26;S37/39
4.1 Hazard Class
IRRITANT
4.1 Hazard Declaration
H302
4.1 WGK Germany
3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Other Information
9.0 BRN
108735
9.1 Chemical Properties
beige to beige-brown crystalline powder
9.2 Purification Methods
Recrystallise this base from pet ether. It sublimes at 50o/0.5mm. [Beilstein 22 II 332, 22/8 V 541.]
10. Computational chemical data
  • Molecular Weight: 128.5596g/mol
  • Molecular Formula: C5H5ClN2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 128.0141259
  • Monoisotopic Mass: 128.0141259
  • 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: AAADcYBjAAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAIQAAAACALBEiQ9sJJIEACgADJnZACCgCkxByAI2CA4ZpiIIOLBk5HEIAhgkALIyCYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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