2-Chloro-4-methylquinoline

HCID 69449CAS 634-47-9

Basic information

Standard SMILES
Cc1cc(Cl)nc2ccccc12
InChIKey
PFEIMKNQOIFKSW-UHFFFAOYSA-N
Molecular formula
C10H8ClN
Average molar mass
177.63 g/mol
Monoisotopic mass
177.03452694

Names & identifiers

Preferred name
2-Chloro-4-methylquinoline
IUPAC
2-chloro-4-methylquinoline
English name
2-Chlorolepidine
Molecular formula
C10H8ClN
Molecular weight
177.63

Names & synonyms

2-Chloro-4-methylquinoline634-47-9Quinoline, 2-chloro-4-methyl-Lepidine, 2-chloro-EINECS 211-209-3NSC 96476DTXSID00212808RefChem:86252Lepidine, 2-chloro-(8CI)DTXCID90135299Quinoline, 2-chloro-4-methyl-(9CI)211-209-3
Show more names
AKOS BB-6898Chlorolepidine3-chlorolepidineAKOS BBS-000002152-Chlorolepidine >OTAVA-BB BB01161100262-chloro-4-methyl-quinolin
InChI=1/C10H8ClN/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h2-6H,1HPFEIMKNQOIFKSW-UHFFFAOYSA-N2-Chlorolepidine2-chloro-4-methyl-quinolineMFCD000067422-chloro-4methylquinoline2U5ATH9EJR2-Chloro-4-methylquinolin

Database identifiers

CAS
634-47-9
PubChem CID
69449
DTXSID
DTXSID00212808
UNII
2U5ATH9EJR
EC Number
211-209-3
Nikkaji
J95.797F

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point
55 · 55-58 °C(lit.)
Boiling point
296 °C · 296 °C(lit.)
Density
1.181 · 1.1810 (rough estimate)
refractive index
1.6224 · 1.6224 (estimate)
Flash point
296 °C · 296°C
storage temp.
Inert atmosphere,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
29334900
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 2 items

Description4-Methyl-2-chloro-quinoline is an organic intermediate. It has been reported that it can be used to prepare graphite electrodes based on CrO-FeO-PbO and quinoline modified and a modified vermiculite adsorbent for the adsorption and removal of benzene in chemical wastewater.

Uses2-Chloro-4-methyl-quinoline is a useful synthetic intermediate. It is an intermediate used to synthesize 4-Methyl-2-(1-piperidinyl)-quinoline (M320715) which is a potent inhibitor of TRPC4 channels, responsible for various stimulation, muscle response due to interaction with the environment. 2-Chloro-4-methyl-quinoline is also considered as a cyanine dye.

Preparation methods · 1 item

PreparationThe mixture of 2-hydroxy-4-methylquinoline and phosphorus oxychloride was heated to 80-85°C. After the solid was completely dissolved, the mixture was poured into ice water, the mixture was extracted with ether, and the ether extract was distilled out of ether. Afterwards, carry out vacuum distillation, collect 132-135 ℃ (0.4kPa) fraction, namely 2-chloro-4-methylquinoline. For further purification, petroleum ether (boiling point 40-50°C) can be used for recrystallization, and the yield is 86%-89%.

Suppliers50 total

河北凡博医药科技有限公司15588346797
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
陕西科贝莱药物研发有限公司13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

19 records

Linked notes

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