[ CAS No. 162135-93-5 ]

Name: 3-Phenylquinoxaline-5-carboxylic acid
Brand: Ambeed
SKU: A100693
Rating: 93 (25 reviews)

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2D3D

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Quality Control of [ 162135-93-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 162135-93-5 ]

SDS

Alternatived Products of [ 162135-93-5 ]

Product Details of [ 162135-93-5 ]

CAS No. :	162135-93-5	MDL No. :	MFCD06660374
Formula :	C₁₅H₁₀N₂O₂	Boiling Point :	486°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	250.25	Pubchem ID :	15319416
Synonyms :

Computed Properties of [ 162135-93-5 ]

TPSA :Topological Polar Surface Area	63.1	H-Bond Acceptor Count :	4
XLogP3 :	2.4	H-Bond Donor Count :	1
SP3 :	0.00	Rotatable Bond Count :	2

Safety of [ 162135-93-5 ]

Signal Word:	Warning	Class	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 162135-93-5 ]

Upstream synthesis route of [ 162135-93-5 ]
Downstream synthetic route of [ 162135-93-5 ]

[ 162135-93-5 ] Synthesis Path-Upstream 1~14

1
[ 606-18-8 ]
[ 78146-52-8 ]
[ 162135-93-5 ]

Reference： [1] Patent: US5545646, 1996, A

2
[ 6324-51-2 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

3
[ 214638-10-5 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

4
[ 635-21-2 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

5
[ 5202-87-9 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

6
[ 1074-12-0 ]
[ 603-81-6 ]
[ 162135-93-5 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 3, p. 415 - 418

7
[ 493-57-2 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

8
[ 606-18-8 ]
[ 78146-52-8 ]
[ 162135-93-5 ]

Reference： [1] Patent: US5545646, 1996, A

9
[ 6324-51-2 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

10
[ 214638-10-5 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

11
[ 635-21-2 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

12
[ 5202-87-9 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

13
[ 1074-12-0 ]
[ 603-81-6 ]
[ 162135-93-5 ]

Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 3, p. 415 - 418

14
[ 493-57-2 ]
[ 162135-93-5 ]

Reference： [1] Australian Journal of Chemistry, 1997, vol. 50, # 5, p. 473 - 478

[ 162135-93-5 ] Synthesis Path-Downstream 1~8

1
[ 108-00-9 ]
[ 162135-93-5 ]
3-phenyl-quinoxaline-5-carboxylic acid (2-dimethylamino-ethyl)-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2002,vol. 12,p. 415 - 418

2
[ 493-57-2 ]
2,3-diamino-benzoic acid ; hydrochloride [ No CAS ]
[ 162135-93-5 ]

Reference： [1]Australian Journal of Chemistry,1997,vol. 50,p. 473 - 478

3
kieselguhr [ No CAS ]
[ 606-18-8 ]
[ 78146-52-8 ]
[ 162135-93-5 ]

Yield	Reaction Conditions	Operation in experiment
89%	Pd-on-charcoal; In ethanol;	EXAMPLE XXVIII <strong>[162135-93-5]3-Phenyl-5-quinoxalinecarboxylic acid</strong> STR69 30 g (164.8 mmol) of 2-amino-3-nitrobenzoic acid are suspended in 900 ml of ethanol, 6 g of 5percent strength Pd-on-charcoal are added and hydrogenation is carried out under 3 bar in a Parr apparatus for about 2 hours, until the uptake of hydrogen has ended. The catalyst is filtered off over kieselguhr and 12.8 g (83 mmol) of phenylglyoxal hydrate are added to the solution. The mixture is then stirred at room temperature under nitrogen for 2.5 hours, and the precipitate formed is filtered off with suction, rinsed with ethanol and dried. Yield: 89percent (based on the phenylglyoxal) MS (EI): 250 (M+, 6percent), 206 (M-CO2, 100percent), 103 (12percent), 76 (15percent)

Reference： [1]Patent: US5545646,1996,A

4
[ 5202-87-9 ]
[ 162135-93-5 ]

Reference： [1]Australian Journal of Chemistry,1997,vol. 50,p. 473 - 478

5
2,3-Diamino-5-chloro-benzoic acid; hydrochloride [ No CAS ]
[ 162135-93-5 ]

Reference： [1]Australian Journal of Chemistry,1997,vol. 50,p. 473 - 478

6
[ 635-21-2 ]
[ 162135-93-5 ]

Reference： [1]Australian Journal of Chemistry,1997,vol. 50,p. 473 - 478

7
[ 214638-10-5 ]
[ 162135-93-5 ]

Reference： [1]Australian Journal of Chemistry,1997,vol. 50,p. 473 - 478

8
[ 6324-51-2 ]
[ 162135-93-5 ]

Reference： [1]Australian Journal of Chemistry,1997,vol. 50,p. 473 - 478

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[ 162135-93-5 ]

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P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
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P337	If eye irritation persists:
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P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
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P378
P380	Evacuate area.
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P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
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.
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P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
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H221	Flammable gas
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H231	May react explosively even in the absence of air at elevated pressure and/or temperature
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H316	Causes mild skin irritation
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H370	Causes damage to organs
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Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
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

[ CAS No. 162135-93-5 ]

Quality Control of [ 162135-93-5 ]

Related Doc. of [ 162135-93-5 ]

Product Details of [ 162135-93-5 ]

Computed Properties of [ 162135-93-5 ]

Safety of [ 162135-93-5 ]

Application In Synthesis of [ 162135-93-5 ]

[ 162135-93-5 ] Synthesis Path-Upstream 1~14

[ 162135-93-5 ] Synthesis Path-Downstream 1~8

Related Functional Groups of [ 162135-93-5 ]

Carboxylic Acids

Aryls

Related Parent Nucleus of [ 162135-93-5 ]

Quinoxalines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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Related Functional Groups of
[ 162135-93-5 ]

Related Parent Nucleus of
[ 162135-93-5 ]