[ CAS No. 1220-78-6 ] {[proInfo.proName]}

Name: 1220-78-6|4,4'-(Propane-2,2-diyl)bis(2-aminophenol)|98%
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Quality Control of [ 1220-78-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 1220-78-6 ]

CAS No. :	1220-78-6	MDL No. :	MFCD00437413
Formula :	C₁₅H₁₈N₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UHIDYCYNRPVZCK-UHFFFAOYSA-N
M.W :	258.32	Pubchem ID :	223319
Synonyms :

Calculated chemistry of [ 1220-78-6 ]

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.2
Num. rotatable bonds :	2
Num. H-bond acceptors :	2.0
Num. H-bond donors :	4.0
Molar Refractivity :	78.25
TPSA :	92.5 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.99 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.46
Log Po/w (XLOGP3) :	2.65
Log Po/w (WLOGP) :	2.6
Log Po/w (MLOGP) :	2.01
Log Po/w (SILICOS-IT) :	1.83
Consensus Log Po/w :	2.11

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.45
Solubility :	0.0924 mg/ml ; 0.000358 mol/l
Class :	Soluble
Log S (Ali) :	-4.24
Solubility :	0.0147 mg/ml ; 0.0000571 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-3.87
Solubility :	0.0346 mg/ml ; 0.000134 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.75

Safety of [ 1220-78-6 ]

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 [ 1220-78-6 ]

* 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 [ 1220-78-6 ]
Downstream synthetic route of [ 1220-78-6 ]

[ 1220-78-6 ] Synthesis Path-Upstream 1~2

1
[ 5329-21-5 ]
[ 1220-78-6 ]

Yield	Reaction Conditions	Operation in experiment
88%	With palladium 10% on activated carbon; hydrazine hydrate In ethanol for 24 h; Reflux	Thedinitro compound (2) (10,000 g, 0.0314 mol) was heated to reflux inabsolute ethanol (100 mL) in the presence of wet 10percent Pd/C catalyst(0.650 g). Hydrazine monohydrate (20 mL) was then added dropwiseover a period of 30 min, and the reaction was maintained at reflux for24 h. The hot solution was filtered through Celite® to eliminate thecatalyst and partially concentrated under reduced pressure. Afterwards,the concentrate was poured into cold distilled water. The crude productwas filtered, washed with water, dried under vacuum and recrystallizedtwice from methanol to give (3). The diamino compound was obtainedas a white powder: yield: 88percent; mp. 263 °C (DSC); Analysis: Calculatedfor C15H18N2O2: C, 69.74percent; H, 7.02percent; N, 10.84percent. Found: C, 69.35percent;H, 7.15percent; N, 11.02percent. 1H NMR (400 MHz, DMSO‑d6): δ (ppm); 8.57 (s,1H, OH), 6.43 (d, J=8.1 Hz, 1H, Har), 6.34 (d, J=1.8 Hz, 1H, Har),6.21 (dd, J=8.1 Hz, 1.8 Hz, 1H, Har), 4.23 (s, 2H, NH) 1.37 (s, 3H, CH3f). 13C NMR (100 MHz, DMSO‑d6): δ (ppm) 142.4, 141.4, 135.4, 114.4,113.5, 113.4, 40.8, 30.9.

Reference： [1] Reactive and Functional Polymers, 2018, vol. 127, p. 38 - 47
[2] Chem. Zentralbl., 1904, vol. 75, # II, p. 1737
[3] Journal of the Chemical Society, 1953, p. 2612

2
[ 80-05-7 ]
[ 1220-78-6 ]

Reference： [1] Chem. Zentralbl., 1904, vol. 75, # II, p. 1737

[ 1220-78-6 ] Synthesis Path-Downstream 1~23

1
[ 5329-21-5 ]
[ 1220-78-6 ]

Yield	Reaction Conditions	Operation in experiment
88%	With palladium 10% on activated carbon; hydrazine hydrate; In ethanol; for 24.0h;Reflux;	Thedinitro compound (2) (10,000 g, 0.0314 mol) was heated to reflux inabsolute ethanol (100 mL) in the presence of wet 10% Pd/C catalyst(0.650 g). Hydrazine monohydrate (20 mL) was then added dropwiseover a period of 30 min, and the reaction was maintained at reflux for24 h. The hot solution was filtered through Celite to eliminate thecatalyst and partially concentrated under reduced pressure. Afterwards,the concentrate was poured into cold distilled water. The crude productwas filtered, washed with water, dried under vacuum and recrystallizedtwice from methanol to give (3). The diamino compound was obtainedas a white powder: yield: 88%; mp. 263 C (DSC); Analysis: Calculatedfor C15H18N2O2: C, 69.74%; H, 7.02%; N, 10.84%. Found: C, 69.35%;H, 7.15%; N, 11.02%. 1H NMR (400 MHz, DMSO-d6): delta (ppm); 8.57 (s,1H, OH), 6.43 (d, J=8.1 Hz, 1H, Har), 6.34 (d, J=1.8 Hz, 1H, Har),6.21 (dd, J=8.1 Hz, 1.8 Hz, 1H, Har), 4.23 (s, 2H, NH) 1.37 (s, 3H, CH3f). 13C NMR (100 MHz, DMSO-d6): delta (ppm) 142.4, 141.4, 135.4, 114.4,113.5, 113.4, 40.8, 30.9.
81%	With palladium 10% on activated carbon; hydrogen; In ethanol; at 70℃; for 12.0h;	In a 1 L flask equipped with a thermometer, a condenser, and a stirrer were charged 29.2 g (0.09 mol) of 4,4?-(1-methylethylidene)bis[2-nitrophenol], 5 g of 10% palladium-supported carbon (Pd/C), and 300 mL of ethanol, and the resultant mixture was stirred at room temperature. The mixture for reaction was heated and subjected to hydrogen reduction reaction in a hydrogen gas atmosphere at 70 C. for 12 hours. The reaction mixture was subjected to filtration, and the resultant filtrate was subjected to evaporation under a reduced pressure, and further subjected to vacuum drying at 80 C. for 12 hours to obtain 19.1 g of 4,4?-(1-methylethylidene)bis[2-nitrophenol] in a powder form (yield: 81%). The total yield calculated from bisphenol A was 37%. The obtained 4,4?-(1-methylethylidene)bis[2-aminophenol] had a melting point of 278 C., and therefore was not melted at 150 C.

Reference： [1]Reactive and functional polymers,2018,vol. 127,p. 38 - 47
[2]Patent: US2019/144372,2019,A1 .Location in patent: Paragraph 0151-0152
[3]Chemisches Zentralblatt,1904,vol. 75,p. 1737
[4]Journal of the Chemical Society,1953,p. 2612

2
[ 1220-78-6 ]
[ 108-24-7 ]
[ 15799-09-4 ]

Yield	Reaction Conditions	Operation in experiment
89.2%	In water; N,N-dimethyl-formamide; at 60℃; for 2.0h;	<strong>[1220-78-6]2,2-bis(3-amino-4-hydroxyphenyl)propane</strong> (BAPA, manufactured by Wakayama Seika Chemical Co., Ltd.) 150.21 g (0.58 mol),DMF (N,N-dimethylformamide) 1L,0.45L of ion-exchanged water is charged with a thermometer,Cooling tube, 3L flask of the mixer,Stir at room temperature.After heating the reaction solution to 60 C,148.22 g (1.45 mol) of acetic anhydride was slowly added dropwise.After the drop,After reacting at 60 C for 2 hours, it was air cooled to room temperature. Filter the precipitate,After washing with 2 L of ion-exchanged water, vacuum drying was carried out at 80 C for 10 hours.177.21 g (yield 89.2%) of the solid reactant (a-1) in the following chemical reaction formula was obtained.
177.2 g	In water; N,N-dimethyl-formamide; at 60℃; for 2.0h;	Into a four-necked flask equipped with a thermometer, a cooling tube and a stirrer charged 150.2 g (0.6 mol) of 2,2-bis (3-amino-4-hydroxyphenyl) propane (BAPA manufactured by Wakayama Seika Kogyo Co., Ltd.) ), 1 L of DMF (N, N-dimethyl formamide) and 0.5 L of ion-exchanged water and stirred at room temperature. After the reaction mixture was heated to 60 C, 148.2 g (1.5 mol) of acetic anhydride was slowly added dropwise. After the addition was completed, the reaction was allowed to proceed at 60 C for 2 hours and then air-cooled to room temperature. The precipitate was filtered, washed with 2 L of ion-exchanged water and then vacuum-dried at 80 C for 10 hours to obtain 177.2 g of a solid (d-1) reaction product (reactant).

Reference： [1]Patent: TW2018/40532,2018,A .Location in patent: Paragraph 0168
[2]Chemisches Zentralblatt,1904,vol. 75,p. 1737
[3]Patent: TW2017/30163,2017,A .Location in patent: Paragraph 0167

3
[ 1220-78-6 ]
[ 108-24-7 ]
[ 15799-11-8 ]

Reference： [1]Journal of the Chemical Society,1953,p. 2612

4
[ 1220-78-6 ]
[ 90-02-8 ]
2,2'-bis-salicylidenamino-4,4'-isopropylidene-di-phenol [ No CAS ]

Reference： [1]Chemisches Zentralblatt,1904,vol. 75,p. 1737

6
diacetate of β.β-bis-<x-nitro-4-oxy-phenyl>-propane [ No CAS ]
[ 1220-78-6 ]

Reference： [1]Chemisches Zentralblatt,1904,vol. 75,p. 1737

7
[ 80-05-7 ]
[ 1220-78-6 ]

Reference： [1]Chemisches Zentralblatt,1904,vol. 75,p. 1737

8
[ 1220-78-6 ]
[ 2318-25-4 ]
C₂₅H₂₆N₂O₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; at 5 - 60℃; for 61.0h;	Mixing bis(3-amino-4-hydroxyphenyl)propane 10.0 parts methanol 51.0 parts while stirring at below 5 C ethyl 3-ethoxy-3-iminopropionate hydrochloride 18.2 parts were added. After that, the mixture was stirred as long as 13 hours at below 10 C, at room temperature for as long as 24 hours, at 60 C by 24 hours. The reaction mixture in the chamber it was cooled to-one. The reaction mixture was distilled off the solvent by a rotary vacuum concentrator. Purification of the obtained residue was purified by column chromatography to give 6.46 parts of the compound represented by the formula (pt1-7a).

Reference： [1]Patent: KR2016/24976,2016,A .Location in patent: Paragraph 0693-0694; 0772-0773

9
[ 1220-78-6 ]
[ 17754-90-4 ]
[ 105-56-6 ]
C₄₃H₄₀N₄O₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With benzoic acid; In pentan-1-ol; at 120℃; for 15.0h;	A solution of 10.1 parts of bis (3-amino-4-hydroxyphenyl) dimethylmethane (manufactured by Changzhou Sunshine Pharmaceutical Materials Co., Ltd.)4- (diethylamino) salicylaldehyde (manufactured by Tokyo Chemical Industry Co., Ltd.), 15.2 parts,Benzoic acid (manufactured by Tokyo Chemical Industry Co., Ltd.)1 to 5 parts of 1-pentanol (manufactured by Tokyo Chemical Industry Co., Ltd.) and 8.89 parts of ethyl cyanoacetate (manufactured by Tokyo Chemical Industry Co., Ltd.)And the mixture was stirred at 120 C for 3 hours.Then, 8.39 parts of 4- (diethylamino) salicylaldehyde (manufactured by Tokyo Chemical Industry Co., Ltd.) was added to the reaction solution,Benzoic acid (manufactured by Tokyo Chemical Industry Co., Ltd.)1-pentanol (manufactured by Tokyo Chemical Industry Co., Ltd.) and 4.91 parts of ethyl cyanoacetate (manufactured by Tokyo Chemical Industry Co., Ltd.) were mixed and mixed,Followed by stirring at 120 C for 12 hours.Thereafter, the reaction solution was cooled to room temperature,And then filtered to precipitate the crystallization of the filter residue.To this residue was added 332 parts of acetonitrile,After stirring,The insoluble matter was filtered by suction to obtain a residue.Thereafter, 315 parts of acetonitrile was added to the residue,After stirring,The insoluble matter was filtered by suction to obtain a residue.The residue,And then dried at 60 C under reduced pressure,To obtain 23.6 parts of the compound represented by the general formula (4a-169).

Reference： [1]Patent: TWI577747,2017,B .Location in patent: Paragraph 0497; 0498; 0499

10
N,N-dibutyl-4-amino-2-hydroxy-benzaldehyde [ No CAS ]
[ 1220-78-6 ]
[ 105-56-6 ]
C₅₁H₅₆N₄O₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With benzoic acid; In pentan-1-ol; at 120℃; for 15.0h;	(5.96 parts) of bis (3-amino-4-hydroxyphenyl) dimethylmethane (manufactured by Changzhou Sunshine Pharmaceutical Materials Co., Ltd.)4- (dibutylamino) salicylaldehyde (manufactured by Tokyo Chemical Industry Co., Ltd.)Benzoic acid (manufactured by Tokyo Chemical Industry Co., Ltd.)1 to 5 alcohol (manufactured by Tokyo Chemical Industry Co., Ltd.) and ethyl cyanoacetate (manufactured by Tokyo Chemical Industry Co., Ltd.) were mixed,And the mixture was stirred at 120 C for 3 hours.Then, 5.67 parts of 4- (dibutylamino) salicylaldehyde (manufactured by Tokyo Chemical Industry Co., Ltd.) was added to the reaction solution,0.988 parts of benzoic acid (manufactured by Tokyo Chemical Industry Co., Ltd.) and 2.59 parts of ethyl cyanoacetate (manufactured by Tokyo Chemical Industry Co., Ltd.)Followed by stirring at 120 C for 12 hours.Thereafter, the reaction solution was cooled to room temperature,1750 parts of hexane was added,And then filtered to precipitate out of the crystallization of the filter residue.413 parts of tetrahydrofuran was added to the residue,And stirred at 60 C,After cooling to room temperature,And the residue is filtered by filtration to obtain a residue.And then 308 parts of acetonitrile was added to the residue,And stirred at 80 C,After cooling to room temperature,And the residue is filtered by filtration to obtain a residue.The residue,And then dried at 60 C under reduced pressure,To obtain 14.5 parts of the compound represented by the general formula (4a-170).The structure was then determined by1H-NMR.

Reference： [1]Patent: TWI577747,2017,B .Location in patent: Paragraph 0506; 0507

11
[ 1220-78-6 ]
C₂₁H₂₂N₂O₂ [ No CAS ]

Reference： [1]Patent: TW2017/30163,2017,A

12
[ 1220-78-6 ]
C₂₅H₂₆N₂O₄ [ No CAS ]

Reference： [1]Patent: TW2017/30163,2017,A

13
[ 1220-78-6 ]
C₄₃H₃₈N₂O₆ [ No CAS ]

Reference： [1]Patent: TW2017/30163,2017,A

14
[ 1220-78-6 ]
C₅₅H₄₆N₂O₆ [ No CAS ]

Reference： [1]Patent: TW2017/30163,2017,A

15
[ 1220-78-6 ]
[ 1761-61-1 ]
C₂₉H₂₄Br₂N₂O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68.25%	With formic acid; In tetrahydrofuran; at 20℃; for 18.0h;Schlenk technique;	A 1 -15 mmo 1 2,2-bis (4-hydroxy, 3-amino) phenylpropoxide and 2.31 mmol of 5-bromosalicylaldehyde were added to a 150 mL Schlenk flask,100mL of tetrahydrofuran as a solvent and 0. lmmol of formic acid as a catalyst, to obtain a reaction system I.. The reaction system I. The reaction was stirred at 20 C for 18h,The solid is precipitated by cooling at -10 C. Then recrystallized in a mixed solvent of anhydrous ethanol and tetrahydrofuran (total volume of absolute ethanol and tetrahydrofuran 5 OmL, volume ratio VEt0H / VTHF = 9: 1), filtered under reduced pressure and vacuum dried in a vacuum oven at 70 C Dried to give 0.49 g of yellow-brown crystal ligand L3, with a yield of ligand L3 of 68.25%.

Reference： [1]Patent: CN104693232,2017,B .Location in patent: Paragraph 0069-0077

16
[ 1220-78-6 ]
[ 1761-61-1 ]
C₂₉H₂₀Br₂Cl₄N₂O₄Ti₂ [ No CAS ]

Reference： [1]Patent: CN104693232,2017,B

17
[ 1220-78-6 ]
[ 97-51-8 ]
C₂₉H₂₄N₄O₈ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68.75%	With formic acid; In tetrahydrofuran; at 40℃; for 24.0h;Schlenk technique;	A 150 mL Schlenk flask was charged with 1.15 mmol of 2,2-bis (4-meryl, 3-amino) phenylpropyl and 2.31 mmol of 5-nitrosalicylaldehyde , 100mL of tetrahydrofuran as a solvent and 0. lmmol of formic acid for catalysisAgent to obtain a reaction system Id. The reaction system Id was stirred at 40 C for 24 hours at 25 C under conditions of cooling the solid was precipitated; then a mixed solvent of anhydrous ethanol and tetrahydrofuran (anhydrous ethanol and tetrahydrofuran in a total volume of 8 OmL, the volume ratio VEto / VTHF 9: 1) recrystallization, vacuum suction filtration, dried in a vacuum oven at 80 C to give 0.44g of yellow-brown crystal ligand L4, ligand L4 yield of 68.75%.

Reference： [1]Patent: CN104693232,2017,B .Location in patent: Paragraph 0093-0101

18
[ 1220-78-6 ]
[ 635-93-8 ]
C₂₉H₂₄Cl₂N₂O₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62.26%	With formic acid; In tetrahydrofuran; at 0 - 20℃; for 15.0h;Schlenk technique;	150 mL Schlenk flask was charged with 1.68 mmo 12,2-bis (4-hydroxy, 3-amino) phenylpropane and3.36mmol of 5-chloro salicylaldehyde, 80mL of tetrahydrofuran as a solvent and 0. lmmol of formic acid as a catalyst,The reaction system lb was obtained. The reaction system 1b was stirred at room temperature for 15h,At 0 C under conditions of precipitation solid; then in a mixed solution of anhydrous ethanol and tetrahydrofuran(Anhydrous ethanol and tetrahydrofuran in a total volume of 40mL,The volume ratio of VEtcm / VTHF = 9: 1) recrystallization, vacuum filtration, dried in a vacuum oven at 60 C to give 0.56g of tan ligand L2, the ligand 1 ^ yield 62.26

Reference： [1]Patent: CN104693232,2017,B .Location in patent: Paragraph 0045-0053

19
[ 1220-78-6 ]
[ 635-93-8 ]
C₂₉H₂₀Cl₆N₂O₄Ti₂ [ No CAS ]

Reference： [1]Patent: CN104693232,2017,B

20
[ 108-31-6 ]
[ 1220-78-6 ]
C₂₃H₁₈N₂O₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In N,N-dimethyl-formamide; toluene; at 20℃; for 3.0h;Dean-Stark;	25.05 g (0.255 mol) of maleic anhydride,Toluene 520 mL was placed in a 3 L flask equipped with a thermometer, a cooling tube, a Dean-Stark trap, and a stirrer, and stirred at room temperature. Then, a mixed solution of 30.00 g (0.116 mol) of <strong>[1220-78-6]2,2-bis(3-amino-4-hydroxyphenyl)propane</strong> (BAPA, manufactured by Wakayama Seiki Co., Ltd.) and DMF (80 mL) was added dropwise over 1 hour. After the completion of the dropwise addition, the mixture was further reacted at room temperature for 2 hours. 2.75 g of p-toluenesulfonic acid monohydrate was added, and the reaction liquid was heated and azeotroped under reflux. After azeotropic water and toluene were cooled and separated, only toluene was returned to the system, and dehydration reaction was carried out for 6 hours. After air-cooling to room temperature, it was concentrated under reduced pressure to give 113.77 g of an orange solution. This was dissolved in 400 mL of ethyl acetate, washed four times with 100 mL of ion-exchanged water, washed five times with 100 mL of 2% aqueous sodium hydrogencarbonate solution, added with sodium sulfate, dried, and concentrated under reduced pressure, and the obtained mixture was obtained at 80 C. Vacuum drying was carried out for 10 hours to obtain 27.83 g of a crude product containing a "hydroxyl-containing maleimide compound (C)".

Reference： [1]Patent: TW2018/40532,2018,A .Location in patent: Paragraph 0178; 0179; 0180

21
[ 1220-78-6 ]
C₂₉H₂₆N₂O₆ [ No CAS ]

Reference： [1]Patent: TW2018/40532,2018,A

22
[ 1220-78-6 ]
C₂₅H₃₀N₂O₄ [ No CAS ]

Reference： [1]Patent: TW2018/40532,2018,A

23
[ 1220-78-6 ]
C₂₁H₂₆N₂O₂ [ No CAS ]

Reference： [1]Patent: TW2018/40532,2018,A

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P363	Wash contaminated clothing before reuse.
P370	In case of fire:
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

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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. 1220-78-6 ] {[proInfo.proName]}

Quality Control of [ 1220-78-6 ]

Related Doc. of [ 1220-78-6 ]

Product Details of [ 1220-78-6 ]

Calculated chemistry of [ 1220-78-6 ]

Physicochemical Properties

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Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

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Application In Synthesis of [ 1220-78-6 ]

[ 1220-78-6 ] Synthesis Path-Upstream 1~2

[ 1220-78-6 ] Synthesis Path-Downstream 1~23

Related Functional Groups of [ 1220-78-6 ]

Aryls

Amines

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Physical hazards

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[ 1220-78-6 ]