[ CAS No. 1024017-53-5 ]

Name: 1024017-53-5|(4-(tert-Butoxymethyl)phenyl)boronic acid|98%
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Quality Control of [ 1024017-53-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 1024017-53-5 ]

CAS No. :	1024017-53-5	MDL No. :	MFCD03701685
Formula :	C₁₁H₁₇BO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SWBBCXVELDRAPH-UHFFFAOYSA-N
M.W :	208.06 g/mol	Pubchem ID :	3708480
Synonyms :

Calculated chemistry of [ 1024017-53-5 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.45
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	61.58
TPSA :	49.69 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.46
Log Po/w (WLOGP) :	0.53
Log Po/w (MLOGP) :	0.98
Log Po/w (SILICOS-IT) :	0.33
Consensus Log Po/w :	0.66

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.08
Solubility :	1.72 mg/ml ; 0.00828 mol/l
Class :	Soluble
Log S (Ali) :	-2.11
Solubility :	1.62 mg/ml ; 0.00777 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.65
Solubility :	0.466 mg/ml ; 0.00224 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.04

Safety of [ 1024017-53-5 ]

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1024017-53-5 ]

* 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 [ 1024017-53-5 ]

[ 1024017-53-5 ] Synthesis Path-Downstream 1~11

1
[ 1024017-53-5 ]
[ 1082066-21-4 ]
[ 1082063-49-7 ]

Yield	Reaction Conditions	Operation in experiment
58%	Stage #1: (4-(tert-butoxymethyl)phenyl)boronic acid; 3'-chloro-4-(1,5-dimethyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl With potassium carbonate In ISOPROPYLAMIDE; water at 110℃; for 18.5h; Stage #2: With hydrogenchloride In water; acetonitrile	39m Example 39m: 3 '-(4-tert-Butoxymethyl-phenyl)-4-( 1,5 -dimethyl- lH-pyrazol-4- ylmethyl)-3,4,5,6-tetrahydro-2H-[l,2']bipyrazinyl hydrochloride --184-Dissolve 3'-chloro-4-(l,5-dimethyl-lH-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro- 2H-[l,2']bipyrazinyl (307 mg, 1.0 mmol) in N,N-dimethylacetamide (5 mL). Add potassium carbonate (332 mg, 2.40 mmol) then 4-tert-butoxymethyl benzene boronic acid (250 mg, 1.20 mmol), tetrakis(triphenylphosphine)palladium(0) (0.012 g, 0.01 mmol), then water (1 mL) and degas with nitrogen for 30 min. Heat at 1100C for 18 hr. Cool to room temperature, add water (5 mL) and extract with DCM (3 x 5 mL). Pass the combined DCM extracts through an 1ST Phase Separator Frit. Concentrate the filtrate and purify (silica gel chromatography, eluting with 0: 100 to 10:90 methanol: DCM), to give the free base as an oil. Dissolve the oil in acetonitrile and convert to the hydrochloride salt by adding 2 M aq HCl solution. Add water and lyophilize, then purify by SCX-2 chromatography washing with methanol then eluting with 2 M ammonia in methanol and concentrate. Further purify by low pH reverse phase HPLC. Form the free base by passing through an SCX-2 ion exchange cartridge washing with methanol then eluting with 2 M ammonia in methanol and concentrate. Dissolve the solid in acetonitrile and convert to the hydrochloride salt by adding 2 M aq HCl solution. Add water and lyophilize to give the title compound as yellow solid (274 mg, 58%). MS (ES): m/z = 435 [M+H]+

Reference： [1]Current Patent Assignee: ELI LILLY & CO - WO2008/141020, 2008, A1 Location in patent: Page/Page column 183-184

2
[ 1024017-53-5 ]
[ 1186482-08-5 ]
[ 1186483-29-3 ]

Yield	Reaction Conditions	Operation in experiment
		22 5-[6-(4-tert-Butoxymethyl-phenyl)-pyridazin-3-ylmethyl]-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine (Compound 214) Example 22 5-[6-(4-tert-Butoxymethyl-phenyl)-pyridazin-3-ylmethyl]-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine (Compound 214) From 5-(6-chloro-pyridazin-3-ylmethyl)-2-(2,3-difluoro-phenyl)-5H-imidazo[4,5-d]pyridazine and 4-(t-butoxymethyl-)-phenylboronic acid following general procedure A. MS 487.2 (M+H+); H1 NMR (DMSO-d6): δ(ppm) 10.14 (s, 1H), 9.42 (s, 1H), 8.25-8.28 (m, 1H), 8.06-8.18 (m, 3H), 7.92-9.78 (m, 1H), 7.45-7.55 (m, 3H), 7.33-7.37 (m, 1H), 6.24 (s, 2H), 4.47 (s, 2H), 1.24 (s, 9H).

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - US2009/226398, 2009, A1

3
[ 1024017-53-5 ]
[ 290368-00-2 ]
[ 1204772-87-1 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium phosphate;palladium diacetate; tricyclohexylphosphine tetrafluoroborate; In 1,4-dioxane; at 100℃; for 3h;	Reference Example 11; t-butyl-3-{4-(hydroxymethyl)phenyl}-1H-indazole-1-carboxylateTo a solution of the compound of Reference Example 7 (41.7 mg) in 1,4-dioxane (500 muL, manufactured by Kanto Chemical Co., Inc.), potassium phosphate (49 mg, manufactured by Wako Pure Chemical Industries, Ltd.), tricyclohexylphosphine-tetrafluoroborate (16.9 mg, manufactured by Sigma-Aldrich Corp.), palladium acetate (5.2 mg, manufactured by Kanto Chemical Co., Inc.), and 4-t-butoxymethylphenylboronic acid (29.5 mg, manufactured by Frontier Scientific, Inc.) were added, and the mixture was heated for 3 hours at 100 C. The reaction solution was cooled to room temperature, and then water (20 mL) was added thereto. The mixture was extracted with ethyl acetate (3×20 mL), washed with brine (20 mL), and dried (MgSO4). The solvent was then evaporated, to give 34.5 mg of the title compound. LC-MS: HPLC retention time 2.34 minutes, m/z 325 (M+H), condition C-2.

Reference： [1]Patent: US2010/29733,2010,A1 .Location in patent: Page/Page column 38-39

4
[ 1024017-53-5 ]
[ 1309781-60-9 ]
(+/-)-cis-1-(4-(tert-butoxymethyl)phenyl)-2-tosyl-3-vinylisoindoline [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
66%	With potassium phosphate; C₄₄H₄₄Cl₂O₂P₂Pd₂; barium(II) oxide In toluene at 80℃; for 12h; Inert atmosphere; optical yield given as %de; diastereoselective reaction;

Reference： [1]Williams, Florence J.; Jarvo, Elizabeth R. [Angewandte Chemie - International Edition, 2011, vol. 50, # 19, p. 4459 - 4462]

5
[ 1024017-53-5 ]
[ 1353384-15-2 ]
[ 1353384-27-6 ]

Yield	Reaction Conditions	Operation in experiment
55%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In N,N-dimethyl-formamide at 70 - 80℃; Inert atmosphere;

Reference： [1]Location in patent: experimental part Yang, Xiaochuan; Sun, Guojing; Yang, Chunhao; Wang, Binghe [ChemMedChem, 2011, vol. 6, # 12, p. 2294 - 2301]

6
[ 1024017-53-5 ]
(S)-ethyl 2-(5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-(tert-butoxy)acetate [ No CAS ]
(S)-ethyl 2-(tert-butoxy)-2-(5-(4-(tert-butoxymethyl)phenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)acetate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
37.4%	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate In N,N-dimethyl-formamide at 110℃; for 2h;	48 (S)-Ethyl 2-(tert-butoxy)-2-(5-(4-(tert-butoxymethyl)phenyl)-4-(4, 4-dimethylpiperidin-]-yl)-2, 6-dimethylpyridin-3-yl)acetate: A mixture of(S)-ethyl 2-(5-bromo-4-(4,4-dimethylpiperidin- 1 -yl)-2, 6-dimethylpyridin-3 -yl)-2-(tert-butoxy)acetate (0.0475 g, 0.104 mmol), (4-(tert-butoxymethyl)phenyl)boronic acid (0.033 g, 0.156 mmol) and 2M Na2CO3 (0.130 ml, 0.261 mmol) in DMF (2 mL) was degassed for 10 mm. Then, Pd(Ph3P)4 (0.0 12 g, 10.43 tmol) was added, degassed for 5 mm and placed in a preheated oil bath at 110 °C. After 2 h, cooled and purified by prep-HPLC to afford (S)-64-ethyl 2-(tert-butoxy)-2-(5 -(4-(tert-butoxymethyl)phenyl)-4-(4,4-dimethylpiperidin- 1 -yl)2,6-dimethylpyridin-3-yl)acetate (0.021 g, 0.039 mmol, 37.4 % yield) as white solid. ‘H NMR (500 MFIz, CDC13) ö 7.40-7.45 (m, 2H), 7.23 (dd, J1.6, 7.9 Hz, 1H), 7.11-7.15 (dd, J1.6, 7.9 Hz, 1H), 6.08 (s, 1H), 4.56 (s, 2H), 4.26 (qd, J=7.1, 10.7 Hz, 1H), 4.18(qd, J7.1, 10.7 Hz, 1H), 3.20 (d, J=12.0 Hz, 1H), 2.88 (t, J=12.0 Hz, 1H), 2.61 (s, 3H),2.26 (d, J=11.8 Hz, 1H), 2.19 (s, 3H), 2.00 (t, J=11.6 Hz, 1H), 1.55 (dt, J=4.0, 12.5 Hz,1H), 1.32-1.39 (m, 1H), 1.34 (s, 9H), 1.26 (t, J=7.1 Hz, 3H), 1.21 (s, 9H), 1.16-1.20 (m,1H), 1.05 (d, J=12.5 Hz, 1H), 0.89 (s, 3H), 0.62 (s, 3H). LCMS (M+H) = 539.5.

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2017/6261, 2017, A1 Location in patent: Page/Page column 64; 65

7
[ 1024017-53-5 ]
(S)-ethyl 2-(5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)-2-(tert-butoxy)acetate [ No CAS ]
(S)-2-(tert-butoxy)-2-(5-(4-(tert-butoxymethyl)phenyl)-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl)acetic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 2 h / 110 °C 2: lithium hydroxide; water / ethanol / 3 h / Reflux

Reference： [1]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2017/6261, 2017, A1

8
[ 1024017-53-5 ]
3-bromo-5-(methylsulfonyl)-4H-1,2,4-triazole [ No CAS ]
C₁₄H₁₉N₃O₃S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In water; N,N-dimethyl-formamide at 100℃;

Reference： [1]Boezio, Alessandro A.; Andrews, Kristin; Boezio, Christiane; Chu-Moyer, Margaret; Copeland, Katrina W.; DiMauro, Erin F.; Foti, Robert S.; Fremeau, Robert T.; Gao, Hua; Geuns-Meyer, Stephanie; Graceffa, Russell F.; Gunaydin, Hakan; Huang, Hongbing; La, Daniel S.; Ligutti, Joseph; Moyer, Bryan D.; Peterson, Emily A.; Yu, Violeta; Weiss, Matthew M. [Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 11, p. 2103 - 2108]

9
[ 1024017-53-5 ]
[ 91-56-5 ]
(E)-2-(1-(4-(tert-butoxymethyl)phenyl)-2-oxoindolin-3-ylidene)hydrazine-1-carboximidamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: copper diacetate; triethylamine / dichloromethane / Molecular sieve 2: acetic acid / 20 °C

Reference： [1]Chan, Kin-Fai; Chen, Yu Wai; Cheong, Wing-Lam; Liang, Zhiguang; So, Lok-Yan; So, Pui-Kin; Wang, Yong; Wong, Kwok-Yin; Wong, Wing-Leung [Bioorganic Chemistry, 2020, vol. 97]

10
[ 1024017-53-5 ]
[ 91-56-5 ]
C₁₉H₁₉NO₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With copper diacetate; triethylamine In dichloromethane Molecular sieve;	General procedures for the synthesis of compound 5a - 5p: General procedure: To amixture of phenylboronic acid (0.30 mmol), isatin (0.33 mmol), copper(II) acetate (0.30 mmol) and triethylamine (125 μL) in dichloromethane(10 mL), dried molecular sieve (4) was added. The mixture was thenallowed to react with stirring for 60 h at room temperature. Excessiveisatin was removed by silica gel chromatography using a mobile phaseof ethyl acetate: petroleum ether = 1:4. Some vacuum dried product(0.15 mmol) was further reacted with aminoguanidine HCl salt(0.27 mmol) with acetic acid (20 mL) as the solvent. The reactionmixture was allowed to stir for 2 h at room temperature. The crudeproducts were precipitated by the addition of diethyl ether (200 mL)into the reaction mixture and were collected by filtration. The pureproduct was isolated as a yellowish solid after the purification with silica gel chromatography using a mobile phase of methanol: dichloromethane= 1: 4.

Reference： [1]Chan, Kin-Fai; Chen, Yu Wai; Cheong, Wing-Lam; Liang, Zhiguang; So, Lok-Yan; So, Pui-Kin; Wang, Yong; Wong, Kwok-Yin; Wong, Wing-Leung [Bioorganic Chemistry, 2020, vol. 97]

11
[ 1024017-53-5 ]
C₂₆H₃₂IN₅O₄S [ No CAS ]
C₃₇H₄₇N₅O₅S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
58%	With dicyclohexyl({2’,6’-dimethoxy-[1,1‘-biphenyl]-2-yl})phosphane; palladium diacetate; Cs₂CO₃ In tetrahydrofuran at 120℃; for 1h; Microwave irradiation; Inert atmosphere;	3-(3-HO-Me-Ph)-Phs-Phe(3-CN)-Pip-4-Urea-tBu (S18) General procedure: The halide S9 (100 mg, 0.16 mmol, 1.0 eq.), 3-(hydroxymethyl)-phenylboronic acid (33 mg, 0.22 mmol, 1.4 eq.), Pd(OAc)2 (1.1 mg, 4.7 μmol, 3 mol%), and SPhos (3.9 mg, 9.4 μmol, 6 mol%) were dissolved in 1 mL THF and 0.31 mL 2 M aq. Cs2CO3 solution (2 mL/mmol halide) in a microwave vial. After passing Ar into the solution for 5 min, the vial was sealed and the mixture stirred in a microwave at 120 °C for 80 min. The reaction mixture was cooled to room temperature and diluted with EtOAc. The organic phase was submitted to a series of washing steps (2 x Aq.demin → 1 x brine), dried over anhydrous MgSO4, filtered and concentrated under reduced pressure. Lastly, the obtained crude was purified via column chromatography (silica gel, EtOAc/MeOH 100:1) to obtain the pure product S18 as a colorless solid (56 mg, 91 μmol).
58%	With dicyclohexyl({2’,6’-dimethoxy-[1,1‘-biphenyl]-2-yl})phosphane; palladium diacetate; Cs₂CO₃ In tetrahydrofuran at 120℃; for 1h; Microwave irradiation; Inert atmosphere;	3-(3-HO-Me-Ph)-Phs-Phe(3-CN)-Pip-4-Urea-tBu (S18) General procedure: The halide S9 (100 mg, 0.16 mmol, 1.0 eq.), 3-(hydroxymethyl)-phenylboronic acid (33 mg, 0.22 mmol, 1.4 eq.), Pd(OAc)2 (1.1 mg, 4.7 μmol, 3 mol%), and SPhos (3.9 mg, 9.4 μmol, 6 mol%) were dissolved in 1 mL THF and 0.31 mL 2 M aq. Cs2CO3 solution (2 mL/mmol halide) in a microwave vial. After passing Ar into the solution for 5 min, the vial was sealed and the mixture stirred in a microwave at 120 °C for 80 min. The reaction mixture was cooled to room temperature and diluted with EtOAc. The organic phase was submitted to a series of washing steps (2 x Aq.demin → 1 x brine), dried over anhydrous MgSO4, filtered and concentrated under reduced pressure. Lastly, the obtained crude was purified via column chromatography (silica gel, EtOAc/MeOH 100:1) to obtain the pure product S18 as a colorless solid (56 mg, 91 μmol).

Reference： [1]Pilgram, Oliver; Keils, Aline; Benary, Gerrit E.; Müller, Janis; Merkl, Stefan; Ngaha, Sandrine; Huber, Simon; Chevillard, Florent; Harbig, Anne; Magdolen, Viktor; Heine, Andreas; Böttcher-Friebertshäuser, Eva; Steinmetzer, Torsten [European Journal of Medicinal Chemistry, 2022, vol. 238]
[2]Pilgram, Oliver; Keils, Aline; Benary, Gerrit E.; Müller, Janis; Merkl, Stefan; Ngaha, Sandrine; Huber, Simon; Chevillard, Florent; Harbig, Anne; Magdolen, Viktor; Heine, Andreas; Böttcher-Friebertshäuser, Eva; Steinmetzer, Torsten [European Journal of Medicinal Chemistry, 2022, vol. 238]

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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. 1024017-53-5 ]

Quality Control of [ 1024017-53-5 ]

Related Doc. of [ 1024017-53-5 ]

Product Details of [ 1024017-53-5 ]

Calculated chemistry of [ 1024017-53-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1024017-53-5 ]

Application In Synthesis of [ 1024017-53-5 ]

[ 1024017-53-5 ] Synthesis Path-Downstream 1~11

Related Functional Groups of [ 1024017-53-5 ]

Organoboron

Aryls

Ethers

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1024017-53-5 ]