CAS 119-91-5 2,2'-Biquinoline (HCID 8412)

Overview

structure in first source

Names & identifiers

Preferred name: 2,2'-Biquinoline
IUPAC: 2-quinolin-2-ylquinoline
English name: 2,2'-Biquinoline
Molecular formula: C18H12N2
Molecular weight: 256.3

Names & synonyms

2,2'-BIQUINOLINE119-91-5CuproineCuproin2,2'-Diquinolyl2,2'-Biquinolyl6RO6GA6RP3DTXSID8059500NSC-1533RefChem:440230DTXCID9033478204-357-5

Show more names

2,2-BIQUINOLINECUPROIN R. G.2,2'-BiquinoLA,A -DIQUINOLYLα,α'-Biquinolyl

2-quinolin-2-ylquinoline2,2'-Quinolyl2,2/'-BiquinolineMFCD000067402-(2-quinolyl)quinolineNSC 15332-(quinolin-2-yl)quinolineHMS3749A07

Database identifiers

CAS: 119-91-5
PubChem CID: 8412
DTXSID: DTXSID8059500
UNII: 6RO6GA6RP3
EC Number: 204-357-5
Nikkaji: J5.317A

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 297

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quinolines

SpringerMaterials PropertiesBoiling point

LogP4.31

Vapor Pressure0.00000002 [mmHg]

Physical DescriptionLight yellow powder; [Aldrich MSDS]

Physicochemical properties

Melting point: 192 · 192-195 °C(lit.)
Boiling point: 389.54 °C · 389.54°C (rough estimate)
Density: 0.9734 · 0.9734 (rough estimate)
bulk density: 290 kg/m3 · 290kg/m3
refractive index: 1.63 · 1.6300 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: 1.02 mg/l · 1.02mg/l
form: Shiny Flakes
pka: 2.19 · 2.19±0.61(Predicted)
color: Slightly yellow to light beige
Water Solubility: Sparingly soluble in water (0.001g/L).
BRN: 187259 · 187259
InChI: 1S/C18H12N2/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18/h1-12H
InChIKey: WPTCSQBWLUUYDV-UHFFFAOYSA-N
SMILES: c1ccc2nc(ccc2c1)-c3ccc4ccccc4n3
CAS DataBase Reference: 119 · 119-91-5(CAS DataBase Reference)
FDA UNII: 6 RO6GA6RP3 · 6RO6GA6RP3
NIST Chemistry Reference: 2 · 2,2'-Biquinoline(119-91-5)
EPA Substance Registry System: 2 · 2,2'-Biquinoline (119-91-5)
UNSPSC Code: 41116105 · 41116105
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
F: 8 · 8
TSCA: TSCA listed
HS Code: 29334990 · 29334990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 6% (3 of 50) of reports.

Warning

H315 (94%): 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 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: 2,2'-Biquinoline

2,2'-Biquinoline: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [Aldrich MSDS] See Quinoline.

Hazard Classes and CategoriesSkin Irrit. 2 (94%)

Safety data

F: 8
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29334990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2,2'-Biquinoline: ACTIVE

Applications

Uses2,2'-Biquinoline is used as a reagent for spectrophotometric determination of Cu and as an indicator for titration of organolithium reagents, giving yellow-green charge-transfer complexes.

General Description2,2′-Biquinoline is a white crystalline solid and it melts at 176°C. It is insoluble in water, but is soluble in ethyl, amyl and isoamyl alcohol, isoamyl acetate, dimethylformamide, acetic acid, acetonitrile and carbon tetrachloride.

Preparation methods · 1 item

PreparationIn a 50 mL round-bottom flask, H2O (5.0 g), PEG-400 (1.0 g), and quinoline (1.0 g) were added sequentially. After stirring until homogeneous, W's Pd/C catalyst (0.1 g) was added and the reaction was carried out at 80°C for 20 h. The reaction solution was cooled and filtered. The Pd/C filter cake was washed with water and could be recycled and reused. The filtrate was extracted with ethyl acetate, the solvent was evaporated, concentrated, and crystals were precipitated to obtain the crude product. Recrystallization yielded 0.12 g of white 2,2'-biquinoline crystals, with a yield of 11.9% and a melting point of 196-197°C.

Upstream & downstream products

Upstream raw materials

2,2'-Biquinoline, 1,1'-dioxide 2,2'-Biquinoline, 1-oxide 2,2'-Biquinoline, 1,1',2,2',3,3',4,4'-octahydro-2-Bromoquinoline 2-Chloroquinoline 2-(tributylstannyl)quinoline Quinoline-N-oxide Quinoline

Downstream products

2-Butylquinoline 2-(2-NAPHTHYL)QUINOLINE

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

133 records

New reaction record

HRID 1705181As catalystPhotodehalogenation_HTE_estimated_conv_at_5hr

HRID 1705182As catalystPhotodehalogenation_HTE_estimated_conv_at_5hr

HRID 1705183As catalystPhotodehalogenation_HTE_estimated_conv_at_5hr

HRID 1705184As catalystPhotodehalogenation_HTE_estimated_conv_at_5hr

HRID 1705185As catalystPhotodehalogenation_HTE_estimated_conv_at_5hr

HRID 1705186As catalystPhotodehalogenation_HTE_estimated_conv_at_5hr

HRID 1705187As catalystPhotodehalogenation_HTE_estimated_conv_at_5hr

HRID 1705188As catalystPhotodehalogenation_HTE_estimated_conv_at_5hr

Compound notes

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Basic information