CAS 3033-82-7 8-Chloro-2-methylquinoline (HCID 221113)

Substructure search Find similar structures

Basic information

CAS: 3033-82-7
Standard SMILES: Cc1ccc2cccc(Cl)c2n1
InChIKey: VVLYDFPOGMTMFJ-UHFFFAOYSA-N
Molecular formula: C10H8ClN
Average molar mass: 177.63 g/mol
Monoisotopic mass: 177.03452694

Names & identifiers

Preferred name: 8-Chloro-2-methylquinoline
IUPAC: 8-chloro-2-methylquinoline
English name: 8-Chloroquinaldine
Molecular formula: C10H8ClN
Molecular weight: 177.63

Names & synonyms

8-Chloro-2-methylquinoline8-ChloroquinaldineQuinoline, 8-chloro-2-methyl-Quinaldine, 8-chloro-DTXSID70277929RefChem:107005DTXCID50229087625-215-2VVLYDFPOGMTMFJ-UHFFFAOYSA-N3033-82-78-chloro-2-methyl-quinolineMFCD00051764

Show more names

8-Chloroquildine, 99%2-Methyl-8-chloroquinoline8-Chloro-2-methylquinoline 97%8-CHLOROQUINALDINE ISO 9001：2015 REACH

NSC4982HMS560L12NSC-4982SB67711AS-39294CS-0106374EN300-1048848-Chloroquinaldin

Database identifiers

CAS: 3033-82-7
PubChem CID: 221113
DTXSID: DTXSID70277929
EC Number: 625-215-2
Nikkaji: J7.667H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 160

Physicochemical properties

Melting point: 64 °C · 64 °C
Boiling point: 278.2 · 278.2±20.0 °C(Predicted)
Density: 1.225 · 1.225±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: solid
pka: 3.17 · 3.17±0.50(Predicted)
Appearance: Off-white to light yellow Solid
BRN: 119193 · 119193
InChI: 1S/C10H8ClN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,1H3
InChIKey: VVLYDFPOGMTMFJ-UHFFFAOYSA-N
SMILES: Cc1ccc2cccc(Cl)c2n1
CAS DataBase Reference: 3033 · 3033-82-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.