[ CAS No. 52820-13-0 ] {[proInfo.proName]}

Name: 52820-13-0|2-Amino-4-(hydroxymethyl)phenol|97%
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Quality Control of [ 52820-13-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 52820-13-0 ]

SDS Specification

Alternatived Products of [ 52820-13-0 ]

Product Details of [ 52820-13-0 ]

CAS No. :	52820-13-0	MDL No. :	MFCD19203533
Formula :	C₇H₉NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NGYKCAMDGXRBNP-UHFFFAOYSA-N
M.W :	139.15	Pubchem ID :	12000270
Synonyms :

Calculated chemistry of [ 52820-13-0 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.14
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	3.0
Molar Refractivity :	39.0
TPSA :	66.48 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-7.21 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.02
Log Po/w (XLOGP3) :	-0.09
Log Po/w (WLOGP) :	0.32
Log Po/w (MLOGP) :	0.27
Log Po/w (SILICOS-IT) :	0.48
Consensus Log Po/w :	0.4

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.02
Solubility :	13.2 mg/ml ; 0.0946 mol/l
Class :	Very soluble
Log S (Ali) :	-0.85
Solubility :	19.5 mg/ml ; 0.14 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.26
Solubility :	7.56 mg/ml ; 0.0543 mol/l
Class :	Soluble

Medicinal Chemistry

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

Safety of [ 52820-13-0 ]

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 [ 52820-13-0 ]

* 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 [ 52820-13-0 ]
Downstream synthetic route of [ 52820-13-0 ]

[ 52820-13-0 ] Synthesis Path-Upstream 1~3

1
[ 41833-13-0 ]
[ 52820-13-0 ]

Reference： [1] Patent: US5164371, 1992, A,
[2] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 5, p. 969 - 977
[3] Patent: DE148977, , ,
[4] Patent: US2007/207972, 2007, A1, . Location in patent: Page/Page column 15; 19

2
[ 3011-34-5 ]
[ 52820-13-0 ]
[ 95-84-1 ]

Yield	Reaction Conditions	Operation in experiment
41%	With palladium 10% on activated carbon; hydrogen In ethanol for 4 h;	A mixture of 0.30 g (1.8 mmol) of 4-hydroxy-3-nitrobenzaldehyde (31) and 0.15 g of 10percent Pd/C in 30 mL of ethanol was shaken on a hydrogenator under 30 psi atmosphere of hydrogen for 4 h. The reaction mixture was filtered through Celite and carefully washed with ethyl acetate. The filtrate was concentrated and column chromatographed on silica gel using a mixture of dichloromethane and methane (9:1) as eluant to give 91 mg (41percent yield) of 7²³ and 0.10 g (41percent yield) of 8.²⁴ Compound 7: IR (neat) ν 3370 (sharp, m), 3301 (sharp, m), 2921, 1601, 1519, 1458, 1388, 1286, 878, 800 cm^-1; ¹H NMR δ 6.62 (d, J = 7.6 Hz, 1H), 6.58 (d, J = 1.6 Hz, 1H), 6.48 (dd, J = 7.6, 1.6 Hz, 1H), 2.21 (s, 3H); ¹³C NMR δ 141.9, 134.4, 131.2, 120.0, 118.1, 115.4, 20.9. Compound 8: IR (neat) ν 3387 (sharp, m), 3313 (sharp, m), 3047 (broad), 2802, 1605, 1515, 1454, 1364, 1286, 1221, 1155, 1008, 816 cm^-1; ¹H NMR (D₂O) δ 6.88 (d, J = 1.2 Hz, 1H), 6.85 (d, J = 8 Hz, 1H), 6.77 (dd, J = 8, 1.2 Hz, 1H), 4.49 (s, 2H); ¹³C NMR (DMSO-d₆) δ 142.9, 136.1, 133.5, 114.9, 113.8, 113.4, 63.3.

Reference： [1] Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 5, p. 1679 - 1689

3
[ 3011-34-5 ]
[ 52820-13-0 ]

Reference： [1] Journal of Medicinal Chemistry, 2003, vol. 46, # 10, p. 1962 - 1979
[2] Bioorganic and Medicinal Chemistry, 2004, vol. 12, # 5, p. 969 - 977
[3] Organic and Biomolecular Chemistry, 2003, vol. 1, # 19, p. 3343 - 3352

[ 52820-13-0 ] Synthesis Path-Downstream 1~31

1
[ 41833-13-0 ]
[ 52820-13-0 ]

Yield	Reaction Conditions	Operation in experiment
60%	palladium; In ethanol;	a. 3-Amino-4-hydroxybenzyl alcohol A mixture of 10percent (w/w) palladium on carbon (5.25 g) and 4-hydroxy-3-nitrobenzyl alcohol (25.0 g) in ethanol (1.3 liter) was hydrogenated in a shaker at 3.4 bar for 23 hr, after which time the mixture was filtered through diatomaceous earth and evaporated. The residue was flash chromatographed, eluding with methanol:chloroform (0:100 to 10:90), to afford the product (11.92 g, 60percent) as a red solid; TLC, Rf =0.14, methanol:chloroform (5:95): MS, m/e=140(M+1), 139, 138, 123, 122, 110.
	With ammonium formate;palladium 10% on activated carbon; In methanol; at 12 - 29℃; for 24.0h;	Pd-C (10percent weight, 130 g) was placed in a reactor under N2. A solution of compound 2 (1.32 Kg, 7.804 mol) in MeOH (16 L) was added under N2. HCOONH4 (2.6 Kg, 41.2 mol) was added in one portion. The reaction mixture was stirred, and the reaction temperature initially changed from 17° C. to 12° C. then rose gradually up to 28° C. The reaction temperature was controlled at 25-29° C. by setting the cooling jacket at 20° C. After 24 h, NMR indicated the reaction was completed. Nitrogen was bubbled into the reaction mixture to remove any remaining hydrogen. The mixture was filtered through celite, washed with MeOH (7 L). The combined filtrates (25 L) were immediately concentrated in vacuum to almost dryness, co-evaporated with MeOH (6 L) to almost dryness. The residue was used directly in next stage.

Reference： [1]Patent: US5164371,1992,A
[2]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 969 - 977
[3]Patent: DE148977,
[4]Patent: US2007/207972,2007,A1 .Location in patent: Page/Page column 15; 19

2
[ 186581-53-3 ]
[ 52820-13-0 ]
[ 62267-73-6 ]
[ 62267-63-4 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

3
[ 67813-09-6 ]
[ 52820-13-0 ]
[ 67717-92-4 ]

Reference： [1]Journal of Heterocyclic Chemistry,1978,vol. 15,p. 649 - 653

4
[ 64-17-5 ]
[ 62267-71-4 ]
[ 52820-13-0 ]
[ 62267-74-7 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

5
[ 615-94-1 ]
[ 52820-13-0 ]
[ 62267-65-6 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

6
[ 52820-13-0 ]
[ 62267-73-6 ]
[ 62267-70-3 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

7
[ 52820-13-0 ]
[ 62267-73-6 ]
[ 62267-69-0 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

8
[ 52820-13-0 ]
[ 62267-73-6 ]
[ 62267-76-9 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

9
[ 52820-13-0 ]
[ 62267-73-6 ]
[ 62267-78-1 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

10
[ 52820-13-0 ]
(S)-3-[(S)-1-((S)-2-Benzyloxycarbonylamino-3-methyl-butyryl)-pyrrolidine-2-carbonyl]-amino}-2-hydroxy-4-methyl-pentanimidic acid ethyl ester; hydrochloride [ No CAS ]
[(S)-1-((S)-2-{(S)-1-[Hydroxy-(5-hydroxymethyl-benzooxazol-2-yl)-methyl]-2-methyl-propylcarbamoyl}-pyrrolidine-1-carbonyl)-2-methyl-propyl]-carbamic acid benzyl ester [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1995,vol. 38,p. 3972 - 3982

Yield	Reaction Conditions	Operation in experiment
97%		Subsequent reduction of nitro-alcohol 2with sodium borohydride and 10percent Pd/C catalyst in water provided 3-amino-4-hydroxybenzyl alcohol 3in 97percent yield. The reductions were followed by ring forming condensation of 3-amino-4-hydroxybenzyl alcohol 3with 2,3-dichloro-1,4-naphthoquinone 4. The reaction was performed in a methanol/benzene solvent mixture using potassium acetate at room temperature.
97%		Subsequent reduction of nitro-alcohol 2 with sodium borohydride and 10percent Pd/C catalyst in water provided 3-amino-4-hydroxybenzyl alcohol 3 in 97percent yield. The reductions were followed by ring forming condensation of 3-amino-4-hydroxybenzyl alcohol 3 with 2,3-dichloro-1,4-naphthoquinone 4. The reaction was performed in a methanol/benzene solvent mixture using potassium acetate at room temperature.

12
[ 3011-34-5 ]
[ 52820-13-0 ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 1962 - 1979
[2]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 969 - 977
[3]Organic and Biomolecular Chemistry,2003,vol. 1,p. 3343 - 3352

13
[ 52820-13-0 ]
[ 3674-13-3 ]
[ 534571-77-2 ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 1962 - 1979

14
[ 52820-13-0 ]
[ 106-93-4 ]
[ 915160-96-2 ]

Reference： [1]Tetrahedron Letters,2006,vol. 47,p. 7823 - 7826

15
[ 3011-34-5 ]
HNO₃+H₂SO₄ [ No CAS ]
[ 52820-13-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry,2004,vol. 12,p. 969 - 977

16
[ 52820-13-0 ]
[ 534571-87-4 ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 1962 - 1979

17
[ 52820-13-0 ]
[2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl]-methanol [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 1962 - 1979

18
[ 52820-13-0 ]
(S)-1-((S)-2-Amino-3-methyl-butyryl)-pyrrolidine-2-carboxylic acid [1-(5-hydroxymethyl-benzooxazole-2-carbonyl)-2-methyl-propyl]-amide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1995,vol. 38,p. 3972 - 3982

19
[ 52820-13-0 ]
(SR)-<(benzyloxycarbonyl)-L-valyl>-N-<1-<<5-(hydroxymethyl)benzoxazol-2-yl>carbonyl>-2-methylpropyl>-L-prolinamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1995,vol. 38,p. 3972 - 3982

20
[ 52820-13-0 ]
(1S)-<(benzyloxycarbonyl)-L-valyl>-N-<1-<<5-<<(tert-butyldimethylsilyl)oxy>methyl>benzoxazol-2-yl>hydroxymethyl>-2-methylpropyl>-L-prolinamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1995,vol. 38,p. 3972 - 3982

21
[ 52820-13-0 ]
[ 120629-64-3 ]

Reference： [1]Journal of Medicinal Chemistry,1995,vol. 38,p. 3972 - 3982

22
[ 52820-13-0 ]
[4-[(4-chlorophenyl)sulfonylaminocarbonyl]benzoyl]-L-valyl-N-[1-[5-(hydroxymethyl)benzoxazol-2-yl]carbonyl-2-methylpropyl]-L-prolinamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1995,vol. 38,p. 3972 - 3982

23
[ 52820-13-0 ]
8-hydroxymethyl-2,4-dimethoxy-10H-phenoxazin-3-ol [ No CAS ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

24
[ 52820-13-0 ]
[ 62267-70-3 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

25
[ 52820-13-0 ]
[ 62267-72-5 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

26
[ 52820-13-0 ]
[ 62267-68-9 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

27
[ 52820-13-0 ]
[ 62267-77-0 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

28
[ 52820-13-0 ]
[ 62267-75-8 ]

Reference： [1]Chemische Berichte,1977,vol. 110,p. 12 - 22

29
[ 506-68-3 ]
[ 52820-13-0 ]
[ 947765-02-8 ]

Yield	Reaction Conditions	Operation in experiment
		A mixture of the compound from Step 7a and anhydrous MeOH (14 L) was placed in a reactor. Solid BrCN (0.937 Kg, 8.6 mol) was added (over 45 min) at such a rate that the internal temperature did no exceed 30° C. The reaction mixture was stirred at room temperature for 14 h. HPLC indicated the completion of reaction. The mixture was concentrated in vacuum at 40° C. to a total volume about 13 L (4 L of methanol was removed). EtOAc (20 L) was added and followed by slow addition of an aqueous K2CO3 (w/w 20percent, ca. 1 Kg in 4 L of water) at 14 to 20° C. The mixture's pH value is ca. 9. Water (7 L) was added, and the mixture was stirred for 15 min (aqueous phase pH 910). After extraction, the aqueous phase was further extracted with EtOAc (3.x.18 L). The combined organic layers were washed with half saturated aqueous NaCl (15 L) and concentrated to almost dryness, co-evaporated with MeOH (8 L) to almost dryness. The residue was dissolved in hot MeOH (4 L) at 80° C. bath. The solution gradually cooled to room temperature (crystallization began), then to 0° C. over 3 h. The mixture was stirred at 0° C. for an additional hour, filtered, washed with cold MeOH (100 ml). The collected beige solid (compound 3 was dried in vacuum at 40° C. for 27 h. Weight: 0.706 Kg, HPLC 97.1percent. The mother liquid was further crystallized to afford more of the desired compound (0.2 1 Kg).MS(ESI): m/e 165.10 (M+H).C13 (DMSO-d6): 63.10, 107.59, 113.52, 118.36, 137.95, 143.45, 146.81,162.86.

Reference： [1]Patent: US2007/207972,2007,A1 .Location in patent: Page/Page column 15; 19

30
[ 52820-13-0 ]
[ 7693-46-1 ]
[ 1091611-76-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 5811 - 5814

31
[ 3011-34-5 ]
[ 52820-13-0 ]
[ 95-84-1 ]

Yield	Reaction Conditions	Operation in experiment
41%; 41%	With palladium 10% on activated carbon; hydrogen; In ethanol; under 1551.49 Torr; for 4.0h;	A mixture of 0.30 g (1.8 mmol) of 4-hydroxy-3-nitrobenzaldehyde (31) and 0.15 g of 10percent Pd/C in 30 mL of ethanol was shaken on a hydrogenator under 30 psi atmosphere of hydrogen for 4 h. The reaction mixture was filtered through Celite and carefully washed with ethyl acetate. The filtrate was concentrated and column chromatographed on silica gel using a mixture of dichloromethane and methane (9:1) as eluant to give 91 mg (41percent yield) of 723 and 0.10 g (41percent yield) of 8.24 Compound 7: IR (neat) nu 3370 (sharp, m), 3301 (sharp, m), 2921, 1601, 1519, 1458, 1388, 1286, 878, 800 cm-1; 1H NMR delta 6.62 (d, J = 7.6 Hz, 1H), 6.58 (d, J = 1.6 Hz, 1H), 6.48 (dd, J = 7.6, 1.6 Hz, 1H), 2.21 (s, 3H); 13C NMR delta 141.9, 134.4, 131.2, 120.0, 118.1, 115.4, 20.9. Compound 8: IR (neat) nu 3387 (sharp, m), 3313 (sharp, m), 3047 (broad), 2802, 1605, 1515, 1454, 1364, 1286, 1221, 1155, 1008, 816 cm-1; 1H NMR (D2O) delta 6.88 (d, J = 1.2 Hz, 1H), 6.85 (d, J = 8 Hz, 1H), 6.77 (dd, J = 8, 1.2 Hz, 1H), 4.49 (s, 2H); 13C NMR (DMSO-d6) delta 142.9, 136.1, 133.5, 114.9, 113.8, 113.4, 63.3.

Reference： [1]Bioorganic and Medicinal Chemistry,2012,vol. 20,p. 1679 - 1689

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Ghs Precautionary Statements

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P101	If medical advice is needed,have product container or label at hand.
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P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
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P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
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Code	Phrase
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P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
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P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
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P378
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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.
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P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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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.
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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.
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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.
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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. 52820-13-0 ] {[proInfo.proName]}

Quality Control of [ 52820-13-0 ]

Related Doc. of [ 52820-13-0 ]

Product Details of [ 52820-13-0 ]

Calculated chemistry of [ 52820-13-0 ]

Physicochemical Properties

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Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

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Application In Synthesis of [ 52820-13-0 ]

[ 52820-13-0 ] Synthesis Path-Upstream 1~3

[ 52820-13-0 ] Synthesis Path-Downstream 1~31

Related Functional Groups of [ 52820-13-0 ]

Aryls

Alcohols

Amines

Precautionary Statements-General

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Storage

Disposal

Physical hazards

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Environmental hazards

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[ 52820-13-0 ]