[ CAS No. 1664-57-9 ]

Name: 1664-57-9|3-(3-Nitrophenyl)propionic acid|98%
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Quality Control of [ 1664-57-9 ]

COA NMR CNMR HPLC LC-MS

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Product Details of [ 1664-57-9 ]

CAS No. :	1664-57-9	MDL No. :	MFCD01310835
Formula :	C₉H₉NO₄	Boiling Point :	379.4°C at 760 mmHg
Linear Structure Formula :	-	InChI Key :	-
M.W :	195.17 g/mol	Pubchem ID :	2760224
Synonyms :

Calculated chemistry of of [ 1664-57-9 ]

Physicochemical Properties

Num. heavy atoms :	14
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 :	51.62
TPSA :	83.12 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) :	-6.18 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.14
Log Po/w (XLOGP3) :	1.84
Log Po/w (WLOGP) :	1.61
Log Po/w (MLOGP) :	0.89
Log Po/w (SILICOS-IT) :	-0.25
Consensus Log Po/w :	1.05

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.26
Solubility :	1.07 mg/ml ; 0.00547 mol/l
Class :	Soluble
Log S (Ali) :	-3.21
Solubility :	0.121 mg/ml ; 0.000622 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.97
Solubility :	2.12 mg/ml ; 0.0108 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.67

Safety of [ 1664-57-9 ]

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 [ 1664-57-9 ]

* 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.

Upstream synthesis route of [ 1664-57-9 ]
Downstream synthetic route of [ 1664-57-9 ]

[ 1664-57-9 ] Synthesis Path-Upstream 1~14

1
[ 1664-57-9 ]
[ 58161-35-6 ]

Reference： [1] Patent: CN103370324, 2016, B,

2
[ 2033-24-1 ]
[ 99-61-6 ]
[ 1664-57-9 ]

Yield	Reaction Conditions	Operation in experiment
72%	With formic acid; triethylamine In N,N-dimethyl-formamideLarge scale	General procedure: NEt3 (56.6 g, 0.56 mol) was added dropwise to stirred formicacid (64.4 g, 1.4 mol) at 5 8C. To the resulting reagent were addedDMF (150 ml), Meldrum’s acid (57.6 g, 0.4 mol) and aldehyde 2a–c(60.4 g, 0.4 mol). The reaction mixture was heated at reflux for 4 h.The solvent was evaporated under vacuum.The residue was triturated with water (1000 ml) and acidifiedwith conc. aq HCl to pH = 2. The formed product was filtered off,dried on air, and crystallized from EtOAc (3a) or CCl4 (3b,c) toobtain the pure material.

Reference： [1] Journal of Fluorine Chemistry, 2015, vol. 171, p. 174 - 176
[2] Archiv der Pharmazie, 2011, vol. 344, # 12, p. 840 - 842

3
[ 555-68-0 ]
[ 1664-57-9 ]

Reference： [1] Journal of Medicinal Chemistry, 1995, vol. 38, # 4, p. 636 - 646

4
[ 555-68-0 ]
[ 1664-57-9 ]

Reference： [1] Journal of Medicinal Chemistry, 1989, vol. 32, # 9, p. 2104 - 2110

5
[ 7116-33-8 ]
[ 1664-57-9 ]

Yield	Reaction Conditions	Operation in experiment
18%	Stage #1: With water; sodium hydroxide In ethanolReflux Stage #2: With hydrogenchloride In water	To a solution of Intermediate 79 (48.76 g, 0.23 mol) in ethanol (50 mL) was added sodium hydroxide 2N (400 mL). The mixture was refluxed overnight. The crude reaction was cooled and the aqueous phase was treated with hydrochloric acid and extracted with ether. The solvent was removed under reduced pressure obtaining an oil, which was purified by column chromatography with silica gel, eluding with methylene chloride/methanol (98:2). The title compound was obtained as a solid (8.13 g, 18percent).

Reference： [1] Patent: EP2096105, 2009, A1, . Location in patent: Page/Page column 31

6
[ 13331-27-6 ]
[ 79-10-7 ]
[ 1664-57-9 ]

Reference： [1] Synlett, 2011, # 17, p. 2517 - 2520

7
[ 1772-65-2 ]
[ 1664-57-9 ]
[ 1504-76-3 ]

Reference： [1] Journal of the American Chemical Society, 1992, vol. 114, # 26, p. 10110 - 10112

8
[ 501-52-0 ]
[ 16642-79-8 ]
[ 1664-57-9 ]
[ 2001-32-3 ]

Reference： [1] Journal of Organic Chemistry, 1998, vol. 63, # 4, p. 952 - 958

9
[ 619-23-8 ]
[ 1664-57-9 ]

Reference： [1] Journal of the Chemical Society, 1929, p. 1674

10
[ 54405-44-6 ]
[ 1664-57-9 ]

Reference： [1] Chemische Berichte, 1882, vol. 15, p. 846
[2] Chemische Berichte, 1882, vol. 15, p. 846

11
[ 7151-20-4 ]
[ 1664-57-9 ]

Reference： [1] Journal of the Chemical Society, 1929, p. 1674
[2] Journal of the Chemical Society, 1929, p. 1674

12
[ 501-52-0 ]
[ 16642-79-8 ]
[ 1664-57-9 ]
[ 2001-32-3 ]

Reference： [1] Journal of Organic Chemistry, 1998, vol. 63, # 4, p. 952 - 958

13
[ 1664-57-9 ]
[ 1664-54-6 ]

Reference： [1] Chemische Berichte, 1882, vol. 15, p. 846
[2] Patent: US2003/225125, 2003, A1, . Location in patent: Page 9

14
[ 1664-57-9 ]
[ 83304-13-6 ]

Yield	Reaction Conditions	Operation in experiment
59%	Stage #1: With sodium azide; sulfuric acid In chloroform at 50℃; for 4 h; Stage #2: With potassium carbonate In chloroform	To a solution of Intermediate 80 (7.75 g, 39.71 mmol) in sulphuric acid (19 mL) was added chloroform (10 mL). The mixture was stirred at 50°C and sodium azide (3.8 g, 58.45 mmol) was slowly added (addition time: 2 hours). The reaction was stirred at 50°C for 2 hours. The crude was poured into potassium carbonate (40 g) to neutralize the reaction, then water was added (30 mL) and the crude was extracted with ethyl acetate. The crude was purified by column chromatography with silica gel, eluding with methylene chloride/methanol (from 98:2 to 9:1) to give the title compound as an oil (3.92 g, 59percent).

Reference： [1] Patent: EP2096105, 2009, A1, . Location in patent: Page/Page column 31

[ 1664-57-9 ] Synthesis Path-Downstream 1~33

1
[ 1664-57-9 ]
[ 1664-54-6 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogen;10% palladium on activated carbon; In ethyl acetate; at 20℃;	A solution of 3-nitro dihydrocinnamic acid (500 mg) in ethyl acetate was treated with 10% Pd/C (500 mg). The resulting suspension was flushed with hydrogen and allowed to stir overnight at room temperature The reaction mixture was purged with argon and then filtered through celite. The filtrate was concentrated and the residue was recrystallized from toluene and ethyl acetate. 1H NMR (DMSO) 6.95 t (1H), 6.4 m (3 H), 2.7 t (2H), 2.45 t (2H)

Reference： [1]Chemische Berichte,1882,vol. 15,p. 846
[2]Patent: US2003/225125,2003,A1 .Location in patent: Page 9

2
[ 555-68-0 ]
[ 1664-57-9 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

3
[ 1664-57-9 ]
[ 19008-62-9 ]

Reference： [1]Recueil des Travaux Chimiques des Pays-Bas,1992,vol. 111,p. 22 - 28

4
[ 1664-57-9 ]
[ 63307-44-8 ]

Yield	Reaction Conditions	Operation in experiment
97%		Step A: 3-(3-Nitrophenyl)propan-1-ol 3-(3-Nitrophenyl)propanoic acid (3.0 g, 15 mmol) was dissolved in dry tetrahydrofuran (7.6 mL) in a flame-dried flask and cooled in an ice bath. A solution of borane in tetrahydrofuran (20 mL, 20 mmol, 1.0 M) was added dropwise over a period of 30 minutes. The reaction mixture was stirred for an additional 2 hours at rt, then quenched slowly with ice water, and followed by an addition of ether (40 mL). The ether layer was washed with water and saturated aqueous solution of NaHCO3 successively, dried, and concentrated to give the desired product as a yellow gel (2.7 g, 97%).
		(95-1) Synthesis of 3-(3-nitrophenyl)-1-propanol (compound 95-1) [Show Image] 3-(3-Nitrophenyl)propionic acid (1.00 g) was dissolved in tetrahydrofuran (20 ml), and a tetrahydrofuran-borane tetrahydrofuran solution (1 mol/l, 7.25 ml) was added dropwise to the mixture under ice-cooling. The mixture was stirred under ice-cooling for 30 min, and further at room temperature for 2.5 hr. Water was added to the reaction mixture, and 1 mol/l aqueous hydrochloric acid solution was added. The mixture was extracted with ethyl acetate, washed with water, saturated aqueous sodium hydrogen carbonate solution and saturated brine, and dried over anhydrous magnesium sulfate. The solvent was evaporated under reduced pressure. The residue was purified by silica gel chromatography to give the object product (220 mg) as a yellow oil. 1H-NMR(CDCl3) delta (ppm): 1.31(1H, t, J=5.0Hz), 1.90-1.97(2H, m), 2.85(2H, t, J=7.8Hz), 3.71(2H, q, J=6.1Hz), 7.46(1H, t, J=7.8Hz), 7.55(1H, d, J=7.5Hz), 8.05-8.08(2H, m).

Reference： [1]Patent: US2010/190804,2010,A1 .Location in patent: Page/Page column 73
[2]Journal of Medicinal Chemistry,1995,vol. 38,p. 636 - 646
[3]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110
[4]Patent: EP2168944,2010,A1 .Location in patent: Page/Page column 182

5
[ 1772-65-2 ]
[ 1664-57-9 ]
[ 1504-76-3 ]

Reference： [1]Journal of the American Chemical Society,1992,vol. 114,p. 10110 - 10112

6
[ 501-52-0 ]
[ 16642-79-8 ]
[ 1664-57-9 ]
[ 2001-32-3 ]

Reference： [1]Journal of Organic Chemistry,1998,vol. 63,p. 952 - 958

7
[ 7647-01-0 ]
[ 1664-57-9 ]
tin [ No CAS ]
[ 1664-54-6 ]

Reference： [1]Chemische Berichte,1882,vol. 15,p. 846

8
[ 1664-57-9 ]
[ 39515-51-0 ]
3-[3-(3-phenoxy-benzylamino)-phenyl]-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 1584 - 1589

9
[ 1664-57-9 ]
[ 3218-36-8 ]
3-{3-[(biphenyl-4-ylmethyl)-amino]-phenyl}-propionic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 1584 - 1589

10
[ 1664-57-9 ]
{2-[3-(3-nitro-phenyl)-propionylamino]-3-[1,2,4]triazol-1-yl-propyl}-phosphonic acid [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 2053 - 2058

11
[ 1664-57-9 ]
[ 1823-16-1 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

12
[ 1664-57-9 ]
[ 121269-70-3 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

13
[ 1664-57-9 ]
[ 121269-68-9 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

14
[ 1664-57-9 ]
[ 121269-69-0 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

15
[ 1664-57-9 ]
[ 121269-67-8 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

16
[ 1664-57-9 ]
[ 121269-63-4 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

17
[ 1664-57-9 ]
[ 121269-64-5 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

18
[ 1664-57-9 ]
[ 121269-74-7 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

19
[ 1664-57-9 ]
[ 121269-75-8 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

20
[ 1664-57-9 ]
[ 121269-78-1 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

21
[ 1664-57-9 ]
[ 121269-76-9 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

22
[ 1664-57-9 ]
[ 121269-66-7 ]

Reference： [1]Journal of Medicinal Chemistry,1989,vol. 32,p. 2104 - 2110

23
[ 619-23-8 ]
[ 1664-57-9 ]

Reference： [1]Journal of the Chemical Society,1929,p. 1674

24
[ 1664-57-9 ]
[ 600723-80-6 ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride; In toluene; at 110℃; for 1h;	3-Nitrophenyl-propionic acid (992 mg, 5.08 mmol) was suspended in toluene (10 mL). Thionyl chloride (1.82 mL, 25.0 mmol) was added dropwise and the resulting mixture was stirred at HO0C for 1 h. The reaction mixture was concentrated and the residue was dissolved in dry dichloromethane (15 mL). To this solution was added 4- <n="113"/>aminobenzonitrile (590mg, 5.2 mmol) and Hunig's base (1.85 niL, 10.0 mmol). The reaction mixture was stirred for 4h then diluted with ethyl acetate (150 rnL) and quenched with NH4Cl (150 rnL satd. aq.) The organic fraction was isolated and washed with brine (50 mL), dried with MgSO4 and concentrated. The residue was purified by flash chromatography using an ethyl acetate/hexane gradient to provide 1.273 g of JV-(4-cyano- phenyl)-3-(3-nitro-phenyl)-propionamide (85% yield). This intermediate (103 mg, 0.35 mmol) was dissolved in methanol (5 mL) under an atmosphere of argon, and sodium borohydride (26.3 mg, 0.7 mmol) and Pd/C (20 mg) were added. The resulting mixture was stirred at room temperature for 1 h, filtered through celite, and concentrated. The residue was suspended in NH4Cl (20 mL, saturated aqueous), and this mixture was extracted with ethyl acetate (2x20 mL). The combined organic fractions were washed with brine (20 mL), dried and concentrated to provide 3-(3-amino-phenyl)-JV-(4-cyano-phenyl)- propionamide (80 mg, 87% yield) which was used without further purification. This intermediate was converted to the title compound as described in example 20. MS, electrospray, 405 (M+H).

Reference： [1]Patent: WO2008/86047,2008,A1 .Location in patent: Page/Page column 111-112

25
[ 1664-57-9 ]
[ 83304-13-6 ]

Yield	Reaction Conditions	Operation in experiment
59%		To a solution of Intermediate 80 (7.75 g, 39.71 mmol) in sulphuric acid (19 mL) was added chloroform (10 mL). The mixture was stirred at 50C and sodium azide (3.8 g, 58.45 mmol) was slowly added (addition time: 2 hours). The reaction was stirred at 50C for 2 hours. The crude was poured into potassium carbonate (40 g) to neutralize the reaction, then water was added (30 mL) and the crude was extracted with ethyl acetate. The crude was purified by column chromatography with silica gel, eluding with methylene chloride/methanol (from 98:2 to 9:1) to give the title compound as an oil (3.92 g, 59%).

Reference： [1]Patent: EP2096105,2009,A1 .Location in patent: Page/Page column 31

26
[ 7116-33-8 ]
[ 1664-57-9 ]

Yield	Reaction Conditions	Operation in experiment
18%		To a solution of Intermediate 79 (48.76 g, 0.23 mol) in ethanol (50 mL) was added sodium hydroxide 2N (400 mL). The mixture was refluxed overnight. The crude reaction was cooled and the aqueous phase was treated with hydrochloric acid and extracted with ether. The solvent was removed under reduced pressure obtaining an oil, which was purified by column chromatography with silica gel, eluding with methylene chloride/methanol (98:2). The title compound was obtained as a solid (8.13 g, 18%).

Reference： [1]Patent: EP2096105,2009,A1 .Location in patent: Page/Page column 31

27
[ 109-01-3 ]
[ 1664-57-9 ]
[ 618446-02-9 ]

Yield	Reaction Conditions	Operation in experiment
45%		Synthesis of 22; To a solution of 21 (3.0 g, 15 mmol) and DIPEA (7.9 g, 62 mmol) in DMF (50 mL) was added HBTU (7.0 g, 18 mmol). The reaction mixture was stirred for 30 min and a solution of amine (2.7 g, 15 mmol) in DMF (10 mL) was added. After stirring at room temperature for 7 days, the reaction mixture was diluted in ethyl acetate (500 mL) and washed with satd. aq. NH4CI (250 mL), water (3 x 200 mL), and 5 wt % LiCI (200 mL).The organic layer was dried over sodium sulfate, filtered and concentrated to obtain 22 (1.9 g, 45%) as a brown oil: 1H NMR (500 MHz, DMSO-c/6) delta 8.13-8.12 (m, 1 H),8.06-8.04 (m, 1 H)1 7.73-7.72 (m, 1 H)1 7.59-7.55 (m, 1 H), 3.44-3.43 (m, 4H), 2.97-2.94 (m, 2H), 2.73-2.69 (m, 2H), 2.30-2.28 (m, 4H), 2.21 (s, 3H).

Reference： [1]Patent: WO2007/18941,2007,A2 .Location in patent: Page/Page column 92

28
[ 13331-27-6 ]
[ 79-10-7 ]
[ 1664-57-9 ]

Reference： [1]Synlett,2011,p. 2517 - 2520

29
[ 2033-24-1 ]
[ 99-61-6 ]
[ 1664-57-9 ]

Yield	Reaction Conditions	Operation in experiment
72%	With formic acid; triethylamine; In N,N-dimethyl-formamide;Large scale;	General procedure: NEt3 (56.6 g, 0.56 mol) was added dropwise to stirred formicacid (64.4 g, 1.4 mol) at 5 8C. To the resulting reagent were addedDMF (150 ml), Meldrum?s acid (57.6 g, 0.4 mol) and aldehyde 2a-c(60.4 g, 0.4 mol). The reaction mixture was heated at reflux for 4 h.The solvent was evaporated under vacuum.The residue was triturated with water (1000 ml) and acidifiedwith conc. aq HCl to pH = 2. The formed product was filtered off,dried on air, and crystallized from EtOAc (3a) or CCl4 (3b,c) toobtain the pure material.

Reference： [1]Journal of Fluorine Chemistry,2015,vol. 171,p. 174 - 176
[2]Archiv der Pharmazie,2011,vol. 344,p. 840 - 842

30
[ 64-17-5 ]
[ 1664-57-9 ]
[ 10039-64-2 ]

Reference： [1]Archiv der Pharmazie,2011,vol. 344,p. 840 - 842

31
[ 1664-57-9 ]
[ 1613694-70-4 ]
[ 1613694-75-9 ]

Reference： [1]Journal of the American Chemical Society,2014,vol. 136,p. 9308 - 9319

32
[ 1664-57-9 ]
3-(3,3,3-trifluoropropyl)aniline [ No CAS ]

Reference： [1]Journal of Fluorine Chemistry,2015,vol. 171,p. 174 - 176

33
[ 1664-57-9 ]
[ 58161-35-6 ]

Reference： [1]Patent: CN103370324,2016,B

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Ghs Precautionary Statements

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P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
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
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. 1664-57-9 ]

Quality Control of [ 1664-57-9 ]

Related Doc. of [ 1664-57-9 ]

Product Details of [ 1664-57-9 ]

Calculated chemistry of of [ 1664-57-9 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1664-57-9 ]

Application In Synthesis of [ 1664-57-9 ]

[ 1664-57-9 ] Synthesis Path-Upstream 1~14

[ 1664-57-9 ] Synthesis Path-Downstream 1~33

Related Functional Groups of [ 1664-57-9 ]

Nitroes

Carboxylic Acids

Aryls

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1664-57-9 ]