[ CAS No. 28694-94-2 ]

Name: 28694-94-2|Methyl 2-(4-amino-3-nitrophenyl)acetate|98%
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Quality Control of [ 28694-94-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 28694-94-2 ]

CAS No. :	28694-94-2	MDL No. :	MFCD16620323
Formula :	C₉H₁₀N₂O₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	KMSVFPDFFCHFRV-UHFFFAOYSA-N
M.W :	210.19	Pubchem ID :	54002717
Synonyms :

Calculated chemistry of [ 28694-94-2 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.22
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	55.53
TPSA :	98.14 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.58 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.49
Log Po/w (XLOGP3) :	1.41
Log Po/w (WLOGP) :	0.9
Log Po/w (MLOGP) :	0.34
Log Po/w (SILICOS-IT) :	-0.79
Consensus Log Po/w :	0.67

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.06
Solubility :	1.82 mg/ml ; 0.00864 mol/l
Class :	Soluble
Log S (Ali) :	-3.08
Solubility :	0.177 mg/ml ; 0.000841 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.91
Solubility :	2.6 mg/ml ; 0.0124 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.05

Safety of [ 28694-94-2 ]

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 [ 28694-94-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 28694-94-2 ]

[ 28694-94-2 ] Synthesis Path-Downstream 1~16

1
[ 28694-94-2 ]
[ 181765-85-5 ]
[ 755026-46-1 ]

Reference： [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 4162 - 4176

2
[ 28694-94-2 ]
[ 755026-47-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 87 percent / dppf; Cs₂CO₃ / Pd(OAc)2 / 16 h / 95 °C 2: H₂ / Pt/C / methanol / 20 °C

Reference： [1]Wang, Le; Sullivan, Gerard M.; Hexamer, Laura A.; Hasvold, Lisa A.; Thalji, Reema; Przytulinska, Magdalena; Tao, Zhi-Fu; Li, Gaoquan; Chen, Zehan; Xiao, Zhan; Gu, Wen-Zhen; Xue, John; Bui, Mai-Ha; Merta, Philip; Kovar, Peter; Bouska, Jennifer J.; Zhang, Haiying; Park, Chang; Stewart, Kent D.; Sham, Hing L.; Sowin, Thomas J.; Rosenberg, Saul H.; Lin, Nan-Horng [Journal of Medicinal Chemistry, 2007, vol. 50, # 17, p. 4162 - 4176]

3
[ 28694-94-2 ]
[ 755026-45-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 87 percent / dppf; Cs₂CO₃ / Pd(OAc)2 / 16 h / 95 °C 2: H₂ / Pt/C / methanol / 20 °C 3: TsOH*H₂O / toluene / 48 h / Heating

4
[ 28694-94-2 ]
[ 755027-09-9 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: 87 percent / dppf; Cs₂CO₃ / Pd(OAc)2 / 16 h / 95 °C 2: H₂ / Pt/C / methanol / 20 °C 3: TsOH*H₂O / toluene / 48 h / Heating 4: 78 percent / Cy-MAP; CsF / Pd(OAc)2 / 1,2-dimethoxy-ethane; methanol / 12 h / Heating

5
[ 28694-94-2 ]
[ 755027-44-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 5 steps 1: 87 percent / dppf; Cs₂CO₃ / Pd(OAc)2 / 16 h / 95 °C 2: H₂ / Pt/C / methanol / 20 °C 3: TsOHH₂O / toluene / 48 h / Heating 4: 78 percent / Cy-MAP; CsF / Pd(OAc)2 / 1,2-dimethoxy-ethane; methanol / 12 h / Heating 5: LiOHH₂O / methanol / Heating

6
[ 28694-94-2 ]
2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]-N,N-dimethylacetamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1: 87 percent / dppf; Cs₂CO₃ / Pd(OAc)2 / 16 h / 95 °C 2: H₂ / Pt/C / methanol / 20 °C 3: TsOHH₂O / toluene / 48 h / Heating 4: 78 percent / Cy-MAP; CsF / Pd(OAc)2 / 1,2-dimethoxy-ethane; methanol / 12 h / Heating 5: LiOHH₂O / methanol / Heating 6: 62 mg / HATU; Et₃N / dimethylformamide

7
[ 28694-94-2 ]
2-[3-(3-methoxy-4-nitro-phenyl)-11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepin-8-yl]N[4-(4-morpholinyl)phenyl]acetamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 6 steps 1: 87 percent / dppf; Cs₂CO₃ / Pd(OAc)2 / 16 h / 95 °C 2: H₂ / Pt/C / methanol / 20 °C 3: TsOHH₂O / toluene / 48 h / Heating 4: 78 percent / Cy-MAP; CsF / Pd(OAc)2 / 1,2-dimethoxy-ethane; methanol / 12 h / Heating 5: LiOHH₂O / methanol / Heating 6: HATU; Et₃N / dimethylformamide

8
[ 123270-23-5 ]
[ 28694-94-2 ]

Yield	Reaction Conditions	Operation in experiment
89%	With hydrogenchloride In water for 48h;	6.6A Example 6; methyl (3-chloro-11-oxo-10, 11-dihydro-5h-dibenzorb, elfl, 4ldiazepin-8-yl) acetate; Example 6A; methyl (4-amino-3-nitrophenyl)acetate A mixture of N- [4- (cyanomethyl)-2-nitrophenyl] acetamide (4.8 g), concentrated HC1 (100 mL), and water (300 ML) was heated to reflux for two days, cooled to room temperature, and concentrated to near dryness under vacuum. The concentrate was treated with methanol (300 mL) and concentrated H2SO4 (30 mL), heated to reflux overnight, and concentrated under vacuum to remove the methanol. The residue was partitioned between ethyl acetate and water and the organic layers were combined, washed with saturated NAHC03 and brine, dried (MGS04), and concentrated under vacuum. The residue was purified by flash column chromatography on silica gel with 7: 3 hexanes/ethyl acetate to provide 4. 1G (89%) of the desired product. MS (DCI) m/e 211 (M+H) +, 228 (M+NH4) + ; 1H NMR (300 MHz, DMSO-D6) 8 7.88 (d, J = 2 Hz, 1H), 7.39 (s, 2H), 7.30 (dd, J = 8.5, 2 Hz, 1H), 6.97 (d, J = 8.4 Hz, 1H), 3.61 (s, 3H).

Reference： [1]Current Patent Assignee: ABBVIE INC - WO2004/76424, 2004, A1 Location in patent: Page 57 - 58

9
[ 28694-94-2 ]
[ 64-18-6 ]
[ 473895-86-2 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: methyl 2-(4-amino-3-nitrophenyl)acetate With hydrogen In methanol at 20℃; for 6h; Stage #2: formic acid at 100℃; for 5h;	3 Preparation 3; 1H-Benzimidazol-6-ylacetic Acid 1.9 g (9.04 mmol) of methyl (4-amino-3-nitrophenyl)acetate (J. Med. Chem., 1997, 40(7), 1049) are dissolved in 300 ml of methanol, and 480 mg of 10% Pd/C are added thereto. Hydrogenation is carried out at ambient temperature for 6 hours, the catalyst is filtered off and the solvent is evaporated under reduced pressure. 1.6 g of oil are thus obtained, which oil is dissolved in 18 ml of 98% formic acid and is heated at 100° C. for 5 hours. The solvent is subsequently evaporated under reduced pressure and 1.6 g of the title product are thus obtained. [0102] Thin layer chromatography (eluent: ethyl acetate/methanol=1/1): Rf 0.35.
	Stage #1: methyl 2-(4-amino-3-nitrophenyl)acetate With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 6h; Stage #2: formic acid In water at 100℃; for 5h;

Reference： [1]Current Patent Assignee: SANOFI - US2004/138264, 2004, A1 Location in patent: Page 6
[2]Current Patent Assignee: SANOFI - JP2004/525983, 2004, A Location in patent: Page/Page column 16

10
[ 39552-81-3 ]
[ 28694-94-2 ]

Yield	Reaction Conditions	Operation in experiment
55%	With nitric acid; trifluoroacetic acid; at -10 - 20℃; for 18h;	methyl 2-(4-aminophenyl)acetate (17.70 g, 107.0 mmol) was dissolved in TFA (red dark solution) and cooled to -10C. Then fuming HNO3 (4.76 mL, 112.0 mmol) was added dropwise. The reaction mixture was warmed to rt and stirred for 18 h. TFA was evaporated and the residue was neutralized with sat.NaHCO3 and solid NaHCO3. The aqueous layer was extracted with EtOAc. The organic layer was dried over Mg504, filtered and the solution was concentrated to dryness. The crude material was purified by silica gel column chromatography eluting with heptane and a gradient of heptane/EtOAc from [100:0] to [80:20] to afford the desired product (12.30 g, 55%) as yellow solid.1H NMR (300 MHz, CDCI3, d in oom): 3.55 (s, 2H), 3.71 (s, 3H), 6.04 (s, 2H), 6.79 (d, 1H, J=8.6Hz), 7.31 (dd, 1H, J=8.5Hz, J=1.8Hz), 8.02 (s, 1H).
18%		N-((4-chloro-2-methylphenyl)(phenyl)methyl)-2-(2-(2-methylpyridin-3-yl)-lH-benzo[a) methyl 2-(4-amino-3-nitrophenyl)acetateFuming EtaNuOmicron3 (3 mL) was added dropwise to a solution of methyl 2-(4- aminophenyl)acetate (6.0 g, 36.32 mmol) in glacial AcOH (200 mL) at 0 C. The reaction mixture was allowed to warm to rt and then heated to 100 C for 6 h. The reaction mixture was cooled to rt, concentrated under reduced pressure and azeotroped with toluene. The reaction mixture was neutralized using 10% aq. NaOH and extracted with EtO Ac. The organic layer was washed with water and brine, dried over anhydrous Na2S04, filtered, and concentrated under reduced pressure. The resultant residue was purified by column chromatography (20% EtO Ac/petroleum ether) to afford the title compound (1.4 g, 18%) as an orange solid. TLC: 50% EtOAc/petroleum ether, Rf= 0.5. lH NMR (400 MHz, DMSO-d6) delta ppm 7.88 (d, J= 1.8 Hz, 1H), 7.41 (br s, 2H), 7.31 (dd, J= 8.9, 2.1 Hz, 1H), 6.97 (d, J= 8.5 Hz, 1H), 3.61 (m, 5H

Reference： [1]Patent: WO2018/138362,2018,A1 .Location in patent: Page/Page column 68; 69; 70
[2]Patent: WO2013/19682,2013,A1 .Location in patent: Page/Page column 115

11
[ 28694-94-2 ]
[ 257632-89-6 ]

Yield	Reaction Conditions	Operation in experiment
89.5%	With palladium 10% on activated carbon; hydrogen In methanol at 25℃; for 3h;	20.B Step B methyl 2- (3, 4-diaminophenyl) acetate To a solution of methyl 2- (4-amino-3-nitro-phenyl) acetate (500 mg, 2.38 mmol) in MeOH (5 mL) was added Pd/C (0.2 g, 10%purity) . The mixture was stirred at 25 under H2 (15 Psi) for 3 hrs. The mixture was filtered, and the filtrate was concentrated in vacuo and the residue was purified by flash chromatography (PE/EtOAc = 1/1) to give methyl 2- (3, 4-diaminophenyl) acetate (384 mg, 89.5%yield) as a brown oil. 1H NMR (400 MHz, DMSO-d6) δ 6.44 -6.37 (m, 2H) , 6.25 (d, J = 6.8, 1H) , 4.43 -4.35 (m, 4H) , 3.56 (s, 3H) , 3.34 (s, 2H) .
89.5%	With palladium 10% on activated carbon; hydrogen In methanol at 25℃; for 3h;	20.B Step B methyl 2- (3, 4-diaminophenyl) acetate To a solution of methyl 2- (4-amino-3-nitro-phenyl) acetate (500 mg, 2.38 mmol) in MeOH (5 mL) was added Pd/C (0.2 g, 10%purity) . The mixture was stirred at 25 under H2 (15 Psi) for 3 hrs. The mixture was filtered, and the filtrate was concentrated in vacuo and the residue was purified by flash chromatography (PE/EtOAc = 1/1) to give methyl 2- (3, 4-diaminophenyl) acetate (384 mg, 89.5%yield) as a brown oil. 1H NMR (400 MHz, DMSO-d6) δ 6.44 -6.37 (m, 2H) , 6.25 (d, J = 6.8, 1H) , 4.43 -4.35 (m, 4H) , 3.56 (s, 3H) , 3.34 (s, 2H) .
73%	With palladium 10% on activated carbon; hydrogen In methanol for 4h;	23.b b) methyl 2-(3,4-diaminophenyl)acetate Methyl 2-(4-amino-3-nitrophenyl)acetate (800 mg, 3.81 mmol) was hydrogenated using 10% Pd/C (120 mg) in MeOH (80 mL) under H2 balloon pressure for 4 h. The reaction mixture was filtered through Celite and washed through with MeOH. The solvent was concentrated to obtain the title compound (500 mg, 73%). TLC: 100% EtOAc, Rf= 0.3. lB NMR (300 MHz, DMSO-d6) δ ppm 6.41 - 6.37 (m, 2H), 6.24 - 6.21 (m, 1H), 4.43 - 4.35 (m, 4H), 3.55 (s, 5H).

Reference： [1]Current Patent Assignee: LHOTSE BIO - WO2022/83703, 2022, A1 Location in patent: Page/Page column 207-208
[2]Current Patent Assignee: LHOTSE BIO - WO2022/83703, 2022, A1 Location in patent: Page/Page column 207-208
[3]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2013/19682, 2013, A1 Location in patent: Page/Page column 116

12
[ 28694-94-2 ]
[ 1422169-96-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: palladium 10% on activated carbon; hydrogen / methanol / 4 h 2.1: sodium hydrogensulfite / ethanol / 0.5 h / 20 °C 2.2: 4 h / 90 °C

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2013/19682, 2013, A1

13
[ 28694-94-2 ]
[ 17118-74-0 ]
[ 121-44-8 ]
methyl 2-(4-(ethylcarbamoylformyl)-3-nitrophenyl)acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%	In dichloromethane at 0 - 20℃; for 18h;	1a.2 Step 2 to a solution of methyl 2-(4-amino-3-nitrophenyl)acetate Ex.lla (1.50 g, 7.14 mmol) in CH2CI2 (28 mL) and triethylamine (2.25 mL, 10.71 mmol) was added dropwise ethyl oxalylchloride (1.47 mL, 12.84 mmol) at 000. The reaction mixture was stirred at rt for 18 h. The reaction was quenched with brine. The aqueous layer was extracted with EtOAc. The organic layer was dried overMg504, filtered and the solution was concentrated to dryness. The crude material was purified by silica gel column chromatography eluting with heptane and a gradient of heptane/EtOAc from [100:0] to [70:30] to give methyl 2-(4- (ethyl carbamoylformyl)-3-n itrophenyl)acetate (1.55 g, 70%).- 1H NMR (300 MHz, DMSO-d6, din ppm): 1.33 (t, 3H, J=7.lHz), 3.61 (s, 3H), 3.65 (s, 2H), 4.34 (d, 2H, J=7.lHz), 7.70 (d, 1H, J=8.6Hz), 8.01 (d, 1H, J=8.4Hz), 8.08 (s, 1 H), 11.35 (s, 1 H).

Reference： [1]Current Patent Assignee: SA GENFIT - WO2018/138362, 2018, A1 Location in patent: Page/Page column 68; 69; 70

14
[ 28694-94-2 ]
2-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-N-{phenyl[2-(piperidin-1-yl)phenyl]methyl}acetamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 4 steps 1: dichloromethane / 18 h / 0 - 20 °C 2: acetic acid; iron / 4 h 3: lithium hydroxide monohydrate; water / tetrahydrofuran / 5 h / 0 °C 4: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 2 h / 20 °C

Reference： [1]Current Patent Assignee: SA GENFIT - WO2018/138362, 2018, A1

15
[ 28694-94-2 ]
2-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)acetic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: dichloromethane / 18 h / 0 - 20 °C 2: acetic acid; iron / 4 h 3: lithium hydroxide monohydrate; water / tetrahydrofuran / 5 h / 0 °C

Reference： [1]Current Patent Assignee: SA GENFIT - WO2018/138362, 2018, A1

16
[ 28694-94-2 ]
methyl 2-(1,2,3,4-tetrahydro-2,3-dioxoquinoxalin-7-yl)acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: dichloromethane / 18 h / 0 - 20 °C 2: acetic acid; iron / 4 h

Reference： [1]Current Patent Assignee: SA GENFIT - WO2018/138362, 2018, A1

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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.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
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
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
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
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
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
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. 28694-94-2 ]

Quality Control of [ 28694-94-2 ]

Related Doc. of [ 28694-94-2 ]

Product Details of [ 28694-94-2 ]

Calculated chemistry of [ 28694-94-2 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 28694-94-2 ]

Application In Synthesis of [ 28694-94-2 ]

[ 28694-94-2 ] Synthesis Path-Downstream 1~16

Related Functional Groups of [ 28694-94-2 ]

Aryls

Esters

Amines

Nitroes

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 28694-94-2 ]