Basic information
- CAS
5466-31-9- Standard SMILES
O=C(O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12- InChIKey
FTEWYGPKBUSJTI-UHFFFAOYSA-N- Molecular formula
- C16H10ClNO2
- Average molar mass
- 283.71 g/mol
- Monoisotopic mass
- 283.0400063
Overview
See also: 2-(P-Chlorophenyl)-quinoline-4-carboxylic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)quinoline-4-carboxylic acid
- IUPAC
- 2-(4-chlorophenyl)quinoline-4-carboxylic acid
- English name
- 2-(4-Chloro-phenyl)-quinoline-4-carboxylic acid
- Molecular formula
- C16H10ClNO2
- Molecular weight
- 283.71
Names & synonyms
2-(4-chlorophenyl)quinoline-4-carboxylic acidDTXSID10282375RefChem:1061225DTXCID502335285466-31-92-(4-Chloro-phenyl)-quinoline-4-carboxylic acidMFCD000854132-(4-chlorophenyl)-quinoline-4-carboxylic acid2-(4-chlorophenyl)-4-quinolinecarboxylic acidNSC256704-Quinolinecarboxylicacid, 2-(4-chlorophenyl)-Oprea1_531697
Show more names
WXCD00131157AKOS AUF0508AKOS B0005582-(4-chlorophenyl)cinchoninic acid2-(P-CHLOROPHENYL)-QUINOLINE-4-CARBOXYLIC ACID4-Quinolinecarboxylic acid, 2-(4-chlorophenyl)-
MLS004820302SCHEMBL2291034CHEMBL5191103SCHEMBL29788462FTEWYGPKBUSJTI-UHFFFAOYSA-NALBB-000106BBL010521NSC-25670
Database identifiers
- CAS
5466-31-9- PubChem CID
- 230596
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Melting point
- 243 °C · 243 °C
- Boiling point
- 479.8 · 479.8±40.0 °C(Predicted)
- Density
- 1.373 · 1.373±0.06 g/cm3(Predicted)
- pka
- 0.87 · 0.87±0.10(Predicted)
- CAS DataBase Reference
- 5466 · 5466-31-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- Precautionary statements
- 264 · P264-P270-P273-P301+P312-P330-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P273-P301+P312-P330-P501
Chemistry & industry
Suppliers22 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海辰烛医药科技有限公司13162380607 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…