CAS 18704-37-5 8-Quinolinesulfonyl chloride (HCID 29220)

Names & identifiers

Preferred name: 8-Quinolinesulfonyl chloride
IUPAC: quinoline-8-sulfonyl chloride
English name: 8-Quinolinesulfonyl chloride
Molecular formula: C9H6ClNO2S
Molecular weight: 227.67

Names & synonyms

8-QUINOLINESULFONYL CHLORIDE18704-37-58-Chlorosulfonyl-1-benzazine8-Quinolylsulfonyl chlorideQuinoline-8-sulfonic acid chloride8-chlorosulfonylquinoline5ZIK3TJS9MNSC-91506DTXSID90171975RefChem:107349DTXCID3094466242-515-5

Show more names

QSCSKL275AKOS B019400ART-CHEM-BB B0194008-Quinolinesulfonyl8-quinolylsulfonylchlorideChinolin-8-sulfonylchlorid

Quinoline-8-sulfonyl chlorideMFCD00006808917102-35-3Quinoline-8-sulphonyl chloride8-QuinolinesulfonylchlorideEINECS 242-515-5UNII-5ZIK3TJS9MNSC 91506

Database identifiers

CAS: 18704-37-5
PubChem CID: 29220
DTXSID: DTXSID90171975
UNII: 5ZIK3TJS9M
EC Number: 242-515-5
Nikkaji: J124.164H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 298

Physicochemical properties

Melting point: 126 · 126-129 °C(lit.)
Boiling point: 306 °C · 306°C
Density: 1.483 · 1.483±0.06 g/cm3(Predicted)
Flash point: 306 °C · 306°C
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: 10 mg/mL, · methanol: soluble10mg/mL, clear, colorless to light yellow
form: powder to crystal
pka: 0 · 0+-.0.17(Predicted)
color: White to Orange to Green
Sensitive: Moisture Sensitive
BRN: 156347 · 156347
InChI: InChI=1S/C9H6ClNO2S/c10-14(12,13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
InChIKey: JUYUYCIJACTHMK-UHFFFAOYSA-N
SMILES: N1C2C(=CC=CC=2S(Cl)(=O)=O)C=CC=1
CAS DataBase Reference: 18704 · 18704-37-5(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 ZIK3TJS9M · 5ZIK3TJS9M
NIST Chemistry Reference: 8 · Sulfonyl chloride, 8-quinoline-(18704-37-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45-27
RIDADR: 3261 · UN 3261 8/PG 2
WGK Germany: 3 · 3
RTECS: 2830000 · VC2830000
F: 3 · 3-10-21
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29334990 · 29334990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 Kg · 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Safety data

F: 3-10-21
PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
rtecs: VC2830000
ridadr: UN 3261 8/PG 2
hs_code: 29334990
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-36/37/39-45-27
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363

Chemistry & industry

Applications

Uses8-Quinolinesulfonyl chloride was used as a coupling reagent in oligonucleotide synthesis. It was also used in the synthesis of olefins from secondary esters at moderate temperature

General Description8-Quinolinesulfonyl chloride reacts with aromatic/heterocyclic sulfonamides containing a free amino, imino, hydrazino or hydroxyl group to form water-soluble compounds.