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Home> Encyclopedia > Hot Product Listed 2   > 2(3H)-Pyridinone,6-chloro-
2380-84-9 structure

2(3H)-Pyridinone,6-chloro-

Iupac Name:1H-indol-7-ol
CAS No.:2380-84-9
Molecular Weight:133.15
Molecular Formula:C3H3NS2 (isomer)
Names and Identifiers
Synonyms

6-chloropyridn-2-ol

Inchi
InChI=1S/C8H7NO/c10-7-3-1-2-6-4-5-9-8(6)7/h1-5,9-10H
InChkey
ORVPXPKEZLTMNW-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)O)NC=C2
Properties
Density
1.252
Melting Point
84-88ºC
Boiling Point
249.1ºC at 760 mmHg
Vapour
0mmHg at 25°C
Refractive Index
1.739
Flash Point
102°C
HS Code
2933990090
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
S36/37/39;S24/25
Specification

The 6-Chloro-2(3H)-pyridinone with cas registry number of 887570-97-0, is also called 6-chloropyridn-2-ol; 2(3H)-pyridinone, 6-chloro-.

Physical properties of 6-Chloro-2(3H)-pyridinone: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 29.43 Å2; (7)Index of Refraction: 1.575; (8)Molar Refractivity: 31.54 cm3; (9)Molar Volume: 95.4 cm3; (10)Polarizability: 12.5×10-24cm3; (11)Surface Tension: 44.7 dyne/cm; (12)Enthalpy of Vaporization: 44.26 kJ/mol; (13)Vapour Pressure: 0.238 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:Cl/C1=N/C(=O)C/C=C1; (2)InChI:InChI=1/C5H4ClNO/c6-4-2-1-3-5(8)7-4/h1-2H,3H2; (3)InChIKey:NTCQDXUCTLMTLH-UHFFFAOYAM; (4)Std. InChI:InChI=1S/C5H4ClNO/c6-4-2-1-3-5(8)7-4/h1-2H,3H2; (5)Std. InChIKey:NTCQDXUCTLMTLH-UHFFFAOYSA-N.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

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

P330 Rinse mouth.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:133.15g/mol
  • Molecular Formula:C3H3NS2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.4
  • Exact Mass:133.053
  • Monoisotopic Mass:133.053
  • Complexity:126
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:36A^2
  • Heavy Atom Count:10
  • 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: AAADcYByIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADAzBngQ8xvLJkgCg AzRnRASCgCAxYiAI2aA/bJgKJuLSkZOEcAhk0BHY2AeQ0LAOAAABAAACEAAAAAIAAAQgAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-88938639
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  • Fax:86-571-85829153
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-312-18103315327
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