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[ CAS No. 62150-46-3 ]

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Cat. No.: {[proInfo.prAm]}

2D3D

Chemical Structure| 62150-46-3

Chemical Structure| 62150-46-3

Structure of 62150-46-3 *Storage: {[proInfo.prStorage]}

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Quality Control of [ 62150-46-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 62150-46-3 ]

SDS

Alternatived Products of [ 62150-46-3 ]

Alternatived Products of [ 62150-46-3 ]

Product Details of [ 62150-46-3 ]

CAS No. :	62150-46-3	MDL No. :	MFCD04113813
Formula :	C₆H₅BrN₂O	Boiling Point :	333.5°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	201.02	Pubchem ID :	693291
Synonyms :

Computed Properties of [ 62150-46-3 ]

TPSA :Topological Polar Surface Area	-	H-Bond Acceptor Count :	-
XLogP3 :	-	H-Bond Donor Count :	-
SP3 :	-	Rotatable Bond Count :	-

Safety of [ 62150-46-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 62150-46-3 ]

Upstream synthesis route of [ 62150-46-3 ]
Downstream synthetic route of [ 62150-46-3 ]

[ 62150-46-3 ] Synthesis Path-Upstream 1~1

1
[ 62150-46-3 ]
[ 84249-14-9 ]

Yield	Reaction Conditions	Operation in experiment
1.5 kg	With bromine; sodium hydroxide In water at -10 - 80℃; for 2 h; Large scale	third step:Add water to the 50 liter reactor, sodium hydroxide, stir to reduce the temperature to 0 °, add bromine, drop the temperature to minus 10 degrees.Add the amide in batches and stir for one hour.Then heat to 80 degrees for one hour.The TCL was detected until the end of the reaction, and the temperature was lowered to room temperature and centrifuged to obtain a crude product which was crystallized from toluene to give a pure product of 1.5 kg.The ratio of each raw material in the third step of Example 1 and the reaction conditions of the third step and the purity and yield of the obtained product are shown in Table 2.

Reference： [1] Patent: CN105153023, 2018, B, . Location in patent: Paragraph 0059; 0064

[ 62150-46-3 ] Synthesis Path-Downstream 1~1

1
[ 1064578-11-5 ]
[ 62150-46-3 ]
4-(8-chloro-2-(2-chlorophenyl)quinoline-3-sulfonamido)picolinamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With caesium carbonate;2-di-tertbutylphosphino-3,4,5,6-tetramethyl-2',4',6'-triisopropyl-1,1'-biphenyl; tris(dibenzylideneacetone)dipalladium(0) chloroform complex; In toluene; at 100℃; for 16h;	The flask was charged with tris(dibenzylideneacetone)dipalladium (0) chloroform adduct (53.2 mg, 51.4 mumol), cesium carbonate (402 mg, 1.23 mmol), 4-bromo- picolinamide (103.4 mg, 0.514 mmol), 8-chloro-2-(2-chlorophenyl)quinoline-3- sulfonamide (200 mg, 0.566 mmol), tBuXPhos (37.0 mg, 77.2 mumol) and filled with N2. Thentoulene (15.0 ml ) was added and N2 was bubbled through the mixture for 10 minutes. The mixture was heated at 100C for 16 hours. The mixture was cooled to room temperature, evaporation of the solvent, diluted with CH2Cl2-MeOH (1:1, 25mL), filtered through a pad of Celite. The mixture was concentrated, and the residue was diluted with MeOH. The solution was purified by HPLC, 20%-70% of B in 35min. The collected fractions were concentrated and neutralized by adding aq. NaHCO3. Filtration and rinse with water gave 4-(8- chloro-2-(2-chlorophenyl)quinoline-3-sulfonamido)picolinamide, 1H-NMR (MeOD) delta 9.33 (s, 1 H), 8.21(d, J= 8.0 Hz, IH), 8.09 (d, J= 7.8 Hz, IH), 7.74 (t, J= 7.8 Hz, IH), 7.61 (s, 1 H), 7.36-7.50 (m, 6 H), 7.08 (d, J= 8.0 Hz, IH) . Mass Spectrum (ESI) m/e = 472.9 (M + 1).

Reference： [1]Patent: WO2008/118455,2008,A1 .Location in patent: Page/Page column 51

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[ 62150-46-3 ]

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Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
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P103	Read label before use
Prevention
Code	Phrase
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Code	Phrase
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P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
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P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
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P411
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P413
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P422
P402 + P404	Store in a dry place. Store in a closed container.
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P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Ghs Hazard Statements

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
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H222	Extremely flammable aerosol
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H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
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H310	Fatal in contact with skin
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H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
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H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere