[ CAS No. 172899-78-4 ]

Name: Methyl 3-formyl-5-nitrobenzoate
Brand: Ambeed
SKU: A465074
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Quality Control of [ 172899-78-4 ]

COA GC NMR CNMR HPLC LC-MS

Related Doc. of [ 172899-78-4 ]

SDS

Product Details of [ 172899-78-4 ]

CAS No. :	172899-78-4	MDL No. :	MFCD08275105
Formula :	C₉H₇NO₅	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	209.16	Pubchem ID :	10846077
Synonyms :

Computed Properties of [ 172899-78-4 ]

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

Safety of [ 172899-78-4 ]

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

Application In Synthesis of [ 172899-78-4 ]

Downstream synthetic route of [ 172899-78-4 ]

[ 172899-78-4 ] Synthesis Path-Downstream 1~10

1
[ 53732-08-4 ]
[ 172899-78-4 ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 4050 - 4062

2
[ 79-37-8 ]
[ 7677-24-9 ]
[ 1738-68-7 ]
[ 172899-78-4 ]
[ 602280-49-9 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2319 - 2325
[2]Journal of Medicinal Chemistry,2003,vol. 46,p. 4050 - 4062

3
[ 1955-04-0 ]
[ 53732-08-4 ]
[ 172899-78-4 ]

Reference： [1]Journal of Medicinal Chemistry,1997,vol. 40,p. 4030 - 4052

4
[ 172899-78-4 ]
[ 183430-96-8 ]

Yield	Reaction Conditions	Operation in experiment
0.22 g (49%)	With hydroxylamine hydrochloride; In ethanol;	A mixture of <strong>[172899-78-4]methyl 3-formyl-5-nitrobenzoate</strong> (0.418 g, 2.0 mmol), hydroxylamine hydrochloride (0.209 g, 3.0 mmol) in ethanol (5.0 mL) was heated at reflux for 2 h. On cooling, the mixture was poured into water and the precipitate collected by filtration. The cake was recrystallized from ethyl acetate-hexane and dried to give 0.22 g (49%) of methyl 3-[(N-hydroxylimino)methyl]-5-nitrobenzoate as an off-white solid, mp 144-145 C. Analysis: Calculated for C9 H9 N2 O5: C, 48.22; H, 3.60; N, 12.50 Found: C, 48.22; H, 3.61;N, 12.41

Reference： [1]Patent: US5602277,1997,A

5
[ 172899-78-4 ]
[ 602280-56-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2319 - 2325

6
[ 172899-78-4 ]
3-amino-5-(1-carboxymethyl-3-chloro-5-isopropylamino-6-oxo-1,6-dihydro-pyrazin-2-yl)-benzoic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2319 - 2325

7
[ 172899-78-4 ]
[ 609345-95-1 ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 4050 - 4062

8
[ 172899-78-4 ]
3-amino-5-[1-[2-({4-[amino(imino)methyl]benzyl}amino)-2-oxoethyl]-3-chloro-5-(isopropylamino)-6-oxo-1,6-dihydropyrazin-2-yl]benzoic acid [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 4050 - 4062
[2]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2319 - 2325

9
[ 172899-78-4 ]
[ 602280-54-6 ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 4050 - 4062
[2]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2319 - 2325

10
[ 172899-78-4 ]
[ 602280-55-7 ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 4050 - 4062
[2]Bioorganic and Medicinal Chemistry Letters,2003,vol. 13,p. 2319 - 2325

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[ 172899-78-4 ]

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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.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
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P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
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.
Storage
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P401
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P411
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P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
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
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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H316	Causes mild skin irritation
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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. 172899-78-4 ]

Quality Control of [ 172899-78-4 ]

Related Doc. of [ 172899-78-4 ]

Product Details of [ 172899-78-4 ]

Computed Properties of [ 172899-78-4 ]

Safety of [ 172899-78-4 ]

Application In Synthesis of [ 172899-78-4 ]

[ 172899-78-4 ] Synthesis Path-Downstream 1~10

Related Functional Groups of [ 172899-78-4 ]

Nitroes

Aryls

Esters

Aldehydes

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

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Related Functional Groups of
[ 172899-78-4 ]