Basic information
- CAS
612-61-3- Standard SMILES
Clc1ccc2cccnc2c1- InChIKey
QNGUPQRODVPRDC-UHFFFAOYSA-N- Molecular formula
- C9H6ClN
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.0188769
Names & identifiers
- Preferred name
- 7-Chloroquinoline
- IUPAC
- 7-chloroquinoline
- English name
- 7-Chloroquinoline
- Molecular formula
- C9H6ClN
- Molecular weight
- 163.6
Names & synonyms
7-chloroquinoline612-61-3Quinoline, 7-chloro-DTXSID10334803RefChem:105957DTXCID20285892612-108-0InChI=1/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6QNGUPQRODVPRDC-UHFFFAOYSA-NMFCD009563707-Chloro-quinoline7-chloroquinoline, AldrichCPR
Show more names
7-Chloro-4-nitroquinoline7-Chloro-1-azanaphthalene7-Chloroquinoline,97%,SS-5262
CHEMBL4877902BDBM50571375AKOS015851204CS-W005984AC-6212DS-1019FS-3122SB67608
Database identifiers
- CAS
612-61-3- PubChem CID
- 521963
- DTXSID
DTXSID10334803- ChEMBL
CHEMBL4877902- EC Number
- 612-108-0
- Nikkaji
- J95.376H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 31.5 °C · 31.5°C
- Boiling point
- 268 °C · 268°C(lit.)
- Density
- 1.2158 · 1.2158
- refractive index
- 1.6108 · 1.6108 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Acetone (Slightly), Chloroform (Slightly)
- pka
- 3.36 · 3.36±0.14(Predicted)
- form
- Solid
- color
- Tan
- λmax
- 319 nm · 319nm(EtOH aq.)(lit.)
- InChI
- 1S/C9H6ClN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H
- InChIKey
- QNGUPQRODVPRDC-UHFFFAOYSA-N
- SMILES
- Clc1ccc2cccnc2c1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933499090
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P271-P280
Chemistry & industry
Applications
UsesChloroquinolines block antibiotic efflux pumps in antibiotic-resistant Enterobacter aerogenes isolates.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
2 records
Compound notes
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