Benzo(F)Quinoline

HCID 6796CAS 85-02-9

Basic information

Standard SMILES
c1ccc2c(c1)ccc1ncccc12
InChIKey
HCAUQPZEWLULFJ-UHFFFAOYSA-N
Molecular formula
C13H9N
Average molar mass
179.22 g/mol
Monoisotopic mass
179.07349929

Overview

Benzo[f]quinoline appears as yellow crystals or white powder. Characteristic irritating odor. (NTP, 1992)

Names & identifiers

Preferred name
Benzo(F)Quinoline
IUPAC
benzo[f]quinoline
English name
5,6-BENZOQUINOLINE
Molecular formula
C13H9N
Molecular weight
179.22

Names & synonyms

Benzo[f]quinoline5,6-BENZOQUINOLINE85-02-9Benzo(f)quinoline1-Azaphenanthrenebeta-Naphthoquinoline5,6-Benzo(f)quinolineDTXSID2024585NAPHTHOPYRIDINE525476DTMLDTXCID804585NSC-9850
Show more names
BenzoquinolineNSC 9850b-naphthoquinoline5,6-naphthoquinoline,6-Benzo[f]quinoline
5,6-Benzo[f]quinolineRefChem:118233201-582-0.beta.-NaphthoquinolineBenzo(f)-quinolineazaphenanthreneMFCD00022235EINECS 201-582-0

Database identifiers

CAS
85-02-9
PubChem CID
6796
DTXSID
DTXSID2024585
ChEMBL
CHEMBL1565107
UNII
525476DTML
EC Number
201-582-0
Nikkaji
J4.907G

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
14

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Quinolines
SpringerMaterials PropertiesAngular frequency
LogP3.25
Solubilityless than 0.1 mg/mL at 66 °F (NTP, 1992)
Flash Point330.8 °F (NTP, 1992)
Boiling Point662 °F at 721 mmHg (NTP, 1992)

Physicochemical properties

Melting point
89 · 89-91 °C
Boiling point
349 °C · 349 °C (721 mmHg)
Density
1.1255 · 1.1255 (rough estimate)
refractive index
1.727 · 1.7270 (estimate)
Flash point
166 °C · 166 °C
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Hazard information

Regulatory InformationChemical: Benzo[f]quinoline
Fire HazardsThis compound is combustible. (NTP, 1992)
Health Hazards · 1 item

SYMPTOMS: Symptoms of exposure to this compound include severe local damage to the skin and mucous membranes indicated by discoloration, severe irritation, redness, swelling and the formation of blisters and bumps. It may also cause visual disturbances, eye irritation, conjunctivitis, light-sensitivity, tearing and burning sensations. Chronic exposure may cause necrosis and corneal injury.

Hazards Summary · 1 item

Causes severe irritation and local injury to skin and mucous membranes; Eye contact may cause severe visual disturbances, lachrymation, conjunctivitis, burning sensation, and corneal injury; [NTP] An irritant that may cause serious eye injury; Toxic by ingestion; [Sigma-Aldrich MSDS] See Quinoline and Naphthalene.

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 item

BENZO[F]QUINOLINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.

Safety & protection

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Toxicology

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

Safety data

rtecs
DK1428000
hs_code
29334990
Toxicity
mma-sat 50 mg/plate 50NNAZ 7,73,83
risk_code
40-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07,GHS08

Chemistry & industry

Uses & manufacturing

UsesUsed as a reagent in the determination of cadmium; [Merck Index]

Applications

UsesAs a reagent for the determination of cadmium which is pptd as (C13H9N)2H2(CdI4) from dil nitric or sulfuric acid solution in the presence of potassium iodide.

General DescriptionYellow crystals or white powder. Characteristic irritating odor.

Suppliers50 total

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]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

7 records

Linked notes

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