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Home> Encyclopedia > Hot Product Listed 2   > 2-Naphthalenesulfonylchloride, 7-chloro-
21829-25-4 structure

2-Naphthalenesulfonylchloride, 7-chloro-

Iupac Name:dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS No.:21829-25-4
Molecular Weight:346.33462
Molecular Formula:C16H15NO2 (isomer)
Names and Identifiers
Synonyms

7-CHLORO-NAPHTHALENE-2-SULFONYL CHLORIDE 7-Chloronaphthalene-2-sulfonylchloride XZHQZGPVPIOPFH-UHFFFAOYSA-N

Inchi
InChI=1/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
InChkey
HYIMSNHJOBLJNT-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
Isomers Smiles
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
Properties
Melting Point
171-175℃
Boiling Point
513 ºC at 760 mmHg
Vapour
2.68E-08mmHg at 25°C
Refractive Index
1.584
Flash Point
104°C
HS Code
2933290090
Safety and Handling
Risk Statements
R22
Safety Statements
S26;S36
Hazard Note
H302
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

Computational chemical data
  • Molecular Weight:346.33462g/mol
  • Molecular Formula:C16H15NO2
  • XLogP3-AA:2.2
  • Exact Mass:346.116486
  • Monoisotopic Mass:346.116486
  • Complexity:608
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:110
  • Heavy Atom Count:25
  • 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
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