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Home> Hot Product Listed 1   > 10D-048
18704-37-5 structure

10D-048

Iupac Name:quinoline-8-sulfonyl chloride
CAS No.:18704-37-5
Molecular Weight:227.662
Molecular Formula:C15H13NO6S (isomer)
Names and Identifiers
Synonyms

3-[2-[2-chloroanilino]-1,3-th iazol-5-yl]-3-oxo-n-p henylpropanamide 3-[2-[2-chloroanilino]-1,3-thiazol-5-yl]-3-oxo-n-phenylpropanamide 3-{2-[(2-chlorophenyl)amino]-1,3-thiazol-5-yl}-3-oxo-n-phenylpropanamide AKOS005074077 HE008497 MOLPORT-002-850-009 OPREA1_757436 ZINC3029779

Inchi
InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChkey
JUYUYCIJACTHMK-UHFFFAOYSA-N
Canonical Smiles
C1=CC2=C(C(=C1)S(=O)(=O)Cl)N=CC=C2
Properties
Melting Point
126-129℃
Vapour
0.012mmHg at 25°C
Refractive Index
1.535
HS Code
29334990
Safety and Handling
Risk Statements
R34
Safety Statements
S26;S36/37/39;S45
HazardClass
8
PackingGroup
III
Transport
UN 3261
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 18704-37-5 EC: 10D-048 ·ECHA C&L Inventory for CAS: CAS: 18704-37-5 EC: 10D-048
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

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

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

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

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:227.662g/mol
  • Molecular Formula:C15H13NO6S
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.9
  • Exact Mass:226.981
  • Monoisotopic Mass:226.981
  • Complexity:298
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55.4A^2
  • Heavy Atom Count:14
  • 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: AAADcYByMABEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAQAAAAADAjBXgQ8wfIIEAKg AzRnRHDCgCAxAiAI2Dw4ZJgIIOLAkZGEIAhggADIyAcQgIAOAAAAgAACAQAAAAEAAAQCAAAAAAAA AA==
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