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QUINOLINE HYDROCHLORIDE structure
QUINOLINE HYDROCHLORIDE structure

QUINOLINE HYDROCHLORIDE

Iupac Name:quinoline;hydrochloride
CAS No.: 530-64-3
Molecular Weight:165.62
Modify Date.: 2022-10-27 21:04
1. Names and Identifiers
1.1 Name
QUINOLINE HYDROCHLORIDE
1.2 Synonyms

1-BENZAZINE HYDROCHLORIDE BENZO(B)PYRIDINE HYDROCHLORIDE EINECS 208-489-4 LEUCOL HYDROCHLORIDE LEUCOLINE HYDROCHLORIDE MFCD00043788 quinoline hcl Quinoline monohydrochloride Quinoline, hydrochloride Quinoline, hydrochloride (1:1) quinoline,hydrochloride quinolinium chloride

1.3 CAS No.
530-64-3
1.4 CID
68264
1.5 EINECS(EC#)
208-489-4
1.6 Molecular Formula
C9H8ClN (isomer)
1.7 Inchi
InChI=1S/C9H7N.ClH/c1-2-6-9-8(4-1)5-3-7-10-9;/h1-7H;1H
1.8 InChkey
PSXRWZBTVAZNSF-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC=C2C(=C1)C=CC=N2.Cl
1.10 Isomers Smiles
C1=CC=C2C(=C1)C=CC=N2.Cl
2. Properties
3.1 Density
1.106
3.1 Melting point
8-12?°C(lit.)
3.1 Boiling point
234.1°C at 760 mmHg
3.1 Refractive index
n20/D 1.545(lit.)
3.1 Flash Point
101.1°C
3.1 Precise Quality
165.03500
3.1 PSA
12.89000
3.1 logP
3.03680
3.1 Appearance
Blue to Purple powder to crystal
3.2 Color/Form
COLORLESS TO BROWN /SRP: TECHNICAL GRADE/
Highly refractive/darkens with age
Colorless liquid
3.3 Water Solubility
very faint turbidity
3.4 Spectral Properties
Index of refraction: 1.62683 @ 20 deg C/D
MAX ABSORPTION (WATER): 275 NM (LOG E= 3.51), 299 NM (LOG E= 3.46), 312 NM (LOG E= 3.52); SADTLER REFERENCE NUMBER: 1053 (IR, PRISM)
Intense mass spectral peaks: 129 m/z (100%), 102 m/z (21%), 51 m/z (17%), 128 m/z (16%)
IR: 213 (Sadtler Research Laboratories IR Grating Collection)
UV: 320 (Sadtler Research Laboratories Spectral Collection)
NMR: 6683 (Sadtler Research Laboratories Spectral Collection)
MASS: 579 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
3.5 StorageTemp
Sealed in dry,Room Temperature
3. Safety and Handling
4.1 Hazard Codes
T,N
4.1 Risk Statements
36/37/38
4.1 Octanol/Water Partition Coefficient
log Kow= 2.03
4.2 Other Preventative Measures
Wash the contaminated areas of skin with powerful soap solution. The contaminated clothing should be removed and dried followed by washing with powerful soap solution disposed of. The contaminated shoes should be incinerated.
Personnel protection: Avoid breathing vapors or dusts. ... Do not handle broken packages without protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water. Wear self-contained breathing apparatus when fighting fires involving this material.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary.
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
4.3 Cleanup Methods
Spread over with the 9:1 mixture of sand and soda ash. After mixing, transfer into a paper carton, stuffed with ruffled paper.
Environmental considerations: Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash or cement powder. Apply "universal" gelling agent to immobilize spill.
Environmental considerations: Water spill: If dissolved, apply activated carbon at ten times the spilled amount in region of 10 ppm or greater concentration. Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
Environmental considerations: Air spill: Apply water spray or mist to knock down vapors.
4.4 DisposalMethods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Dissolve in such combustible solvent as alcohols, etc. Spray the solution into the furnace with afterburner and scrubber. Pour into a mixture of sand and soda ash (9:1). After mixing, put into a paper carton stuffed full with packing paper to serve as fuel. Burn in the furnace and stand or position oneself on upwind side.
A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids.
Quinoline is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.
4.5 DOT Emergency Guidelines
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Evacuation: ... Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS.
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
4.6 Fire Fighting Procedures
EXTINGUISH WITH WATER, DRY CHEMICALS, FOAM, OR CARBON DIOXIDE.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Solid streams of water may be ineffective. Use foam, dry chemical, or carbon dioxide.
4.7 FirePotential
IT IS MODERATELY FLAMMABLE BUT DOES NOT EVOLVE A FLAMMABLE CONCN OF VAPOR AT TEMP OF BELOW 99 DEG C.
It will burn though it may take some effort to ignite.
Combustible when exposed to heat or flame.
4.8 Formulations/Preparations
GRADES: REAGENT; TECHNICAL
Commercial quinoline is at least 90% pure. Chromatographic composition of this product is typically 92% quinoline and 5% isoquinoline by weight.
4.9 Protective Equipment and Clothing
Depending on the extent of possible contact, workers should be provided with personal protective equipment. A charcoal gas mask canister respirator has been found to be effective against a 2% pyridine concentration at 30 l/min for 1 hr. Rubber and plastic gloves should not be relied upon to prevent skin contact because pyridine and many of its derivatives penetrate these materials ... . /Pyridine, homologues, and derivatives/
Wear boots, protective gloves, and goggles.
4.10 Reactivities and Incompatibilities
VIOLENT REACTION WITH DINITROGEN TETRAOXIDE; PERCHROMATES.
Potentially explosive reaction with hydrogen peroxide. ... Incompatible with linseed oil + thionyl choride; maleic anhydride.
Pyridine and quinoline are attacked violently by the liquid oxide.
4.11 Skin, Eye, and Respiratory Irritations
... IRRITATING TO THE SKIN ...
Moderately toxic by skin contact. A skin & severe eye irritant. ... It can cause retinitis similar to that caused by naphthalene but without causing opacity of the lens.
4.12 Safety
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36/37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
4.13 Specification

Safety Statements:26-36/37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
5. Precursor and Product
6. Computational chemical data
  • Molecular Weight: 165.62g/mol
  • Molecular Formula: C9H8ClN
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 165.0345270
  • Monoisotopic Mass: 165.0345270
  • Complexity: 111
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 12.9
  • Heavy Atom Count: 11
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 2
  • CACTVS Substructure Key Fingerprint: AAADccByAAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAAAAAAADAjBHgQ8wPIIEACgAzRnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==
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