3-Chloroquinoline
Basic information
- CAS
612-59-9- Standard SMILES
Clc1cnc2ccccc2c1- InChIKey
FLORQCMDMHHIHN-UHFFFAOYSA-N- Molecular formula
- C9H6ClN
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.0188769
Names & identifiers
- Preferred name
- 3-Chloroquinoline
- IUPAC
- 3-chloroquinoline
- English name
- 3-Chloroquinoline
- Molecular formula
- C9H6ClN
- Molecular weight
- 163.6
Names & synonyms
3-Chloroquinoline612-59-9CCRIS 3978DTXSID20210109NSC 6164RefChem:93541DTXCID70132600886-163-6Quinoline, 3-chloro-MFCD00234489NSC6164SCHEMBL438735
Show more names
3-Chloroquinoline ISO 9001：2015 REACH
NSC-6164AKOS006271921CS-W002560SB67493DS-13977SY021114EN300-131496AMY5031
Database identifiers
- CAS
612-59-9- PubChem CID
- 69164
- DTXSID
DTXSID20210109- EC Number
- 886-163-6
- Nikkaji
- J95.372E
Properties
Computed structural properties
- XLogP
- 3.2
- 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 PropertiesDiamagnetic susceptibility
Physicochemical properties
- Boiling point
- 95 °C · 95 °C(Press: 2 Torr)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.56 · 2.56±0.11(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2933499090 · 2933499090
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933499090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
1 records
Compound notes
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