Quinaldoyl chloride

HCID 2760547CAS 50342-01-3

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Cl)c1ccc2ccccc2n1
InChIKey: WFVMVMAUXYOQSW-UHFFFAOYSA-N
Molecular formula: C10H6ClNO
Average molar mass: 191.61 g/mol
Monoisotopic mass: 191.01379149

Names & identifiers

Preferred name: Quinaldoyl chloride
IUPAC: quinoline-2-carbonyl chloride
English name: QUINALDYL CHLORIDE 97
Molecular formula: C10H6ClNO
Molecular weight: 191.61

Names & synonyms

Quinaldoyl chlorideRefChem:871921627-709-3quinoline-2-carbonyl chloride50342-01-3MFCD02683554QUINALDYL CHLORIDE 972-quinolinecarbonyl chloridechloroformylquinolineQuinaldoyl chloride, 97%SCHEMBL335075SCHEMBL30835890

Show more names

QUINALDYL CHLORIDE 97QUINALDYL CHLORIDE 97%Quinaldoyl chloride 97%2-Quinolinecarbonyl chloride (9CI)QUINALDYL CHLORIDE 97 ISO 9001：2015 REACH

DTXSID30375218AKOS009157292AS-40152F014750

Database identifiers

CAS: 50342-01-3
PubChem CID: 2760547
DTXSID: DTXSID30375218
EC Number: 627-709-3
Nikkaji: J3.020.118C

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 207

Physicochemical properties

Melting point: 96 · 96-98 °C (dec.) (lit.)
Boiling point: 320.2 · 320.2±15.0 °C(Predicted)
Density: 1.338 · 1.338±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 0.16 · 0.16±0.48(Predicted)
form: Crystalline Powder
color: Orange to brown
InChI: 1S/C10H6ClNO/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h1-6H
InChIKey: WFVMVMAUXYOQSW-UHFFFAOYSA-N
SMILES: ClC(=O)c1ccc2ccccc2n1
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 · 26-27-36/37/39
RIDADR: 1759 · UN 1759 8/PG 3
WGK Germany: 3 · 3
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

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 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1759 8/PG 3
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363