[ CAS No. 1309980-11-7 ]

Name: 1309980-11-7|2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol|98%
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SKU: A249015
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Quality Control of [ 1309980-11-7 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 1309980-11-7 ]

CAS No. :	1309980-11-7	MDL No. :	MFCD12405017
Formula :	C₁₅H₂₃BO₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NNPQWBXXZHNLAW-UHFFFAOYSA-N
M.W :	262.15 g/mol	Pubchem ID :	46738028
Synonyms :

Calculated chemistry of [ 1309980-11-7 ]

Physicochemical Properties

Num. heavy atoms :	19
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.6
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	78.54
TPSA :	38.69 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	2.61
Log Po/w (WLOGP) :	2.1
Log Po/w (MLOGP) :	1.66
Log Po/w (SILICOS-IT) :	2.13
Consensus Log Po/w :	1.7

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.21
Solubility :	0.161 mg/ml ; 0.000615 mol/l
Class :	Soluble
Log S (Ali) :	-3.07
Solubility :	0.222 mg/ml ; 0.000847 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.25
Solubility :	0.0148 mg/ml ; 0.0000566 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.16

Safety of [ 1309980-11-7 ]

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 [ 1309980-11-7 ]

* 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 [ 1309980-11-7 ]

[ 1309980-11-7 ] Synthesis Path-Downstream 1~11

1
[ 1309980-11-7 ]
[ 1394070-73-5 ]
[ 1394073-04-1 ]

Yield	Reaction Conditions	Operation in experiment
68.8%	With sodium carbonate In 1,4-dioxane; water at 120℃; for 1h; microwave irradiation;	83 Example 83 (R)-2-(2-(3-(2-hydroxypropan-2-yl)phenyl)-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-5(6H)-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)acetamide A mixture of (R)-2-(2-chloro-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-5(6H)-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)acetamide (PREPARATION x26, 50 mg, 0.131 mmol), 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol (51.5 mg, 0.196 mmol), tetrakis(triphenylphospine)palladium (0) (15.13 mg, 0.013 mmol) and sodium carbonate (27.8 mg, 0.262 mmol) in 1,4-dioxane (0.5 mL) and H2O (0.25 mL) was heated to 120° C. in a microwave for 1 hour. After cooling to room temperature, the reaction mixture was diluted with EtOAc, washed with water and brine, dried over Na2SO4, filtered, and concentrated in vacuo. The residue was purified by column chromatography (amine-functionalized silica, 0-10% MeOH gradient in CHCl3) to afford the title compound as an off-white solid (43.4 mg, 0.090 mmol, 68.8%). 1H NMR (400 MHz, DMSO-d6) δ 1.06-1.26 (m, 2H), 1.45 (s, 6H), 1.48-1.71 (m, 3H), 2.91-3.05 (m, 3H), 3.11-3.36 (m, 5H), 3.50-3.67 (m, 2H), 3.73-3.93 (m, 4H), 3.96-4.09 (m, 2H), 4.56 (d, J=11.87 Hz, 1H), 5.04 (s, 1 H), 7.31 (t, J=7.71 Hz, 1H), 7.40-7.47 (m, 1H), 7.51 (s, 1H), 7.99-8.12 (m, 2H), 8.34 (s, 1H). ESI-MS m/z [M+H]+ calc'd for C26H35N5O4, 481.27. found 482.4.

Reference： [1]Current Patent Assignee: TAKEDA PHARMACEUTICAL COMPANY LIMITED - US2012/220575, 2012, A1 Location in patent: Page/Page column 66

2
[ 30951-66-7 ]
[ 73183-34-3 ]
[ 1309980-11-7 ]

Yield	Reaction Conditions	Operation in experiment
4.3 g	With tetrakis(triphenylphosphine) palladium(0); potassium acetate; In N,N-dimethyl-formamide; at 120℃; for 3h;	To a solution of 4.9 g of the compound from the preceding step in 100 ml of DMF are added 7.1 g of 4,4,4',4',5,5,5',5'-octamethyl-2,2'-bi-l,3,2-dioxaborolane, 6.7 g of potassium acetate and then 2.6 g of tetrakis(triphenylphosphine)palladium, and the mixture is heated at 120C for 3 hours. The reaction mixture is concentrated under vacuum, the residue is extracted with EtOAc, the organic phase is washed with water, with 10% aHC03 solution and with saturated NaCl solution, and dried over MgSC^, and the solvent is evaporated off under vacuum. The residue is chromatographed on silica gel, eluting with a cyclohexane/EtOAc mixture in a gradient of from (100/0 v/v) to (90/10 v/v). 4.3 g of the expected compound are obtained.

Reference： [1]Patent: WO2013/87643,2013,A1 .Location in patent: Page/Page column 15-16

3
[ 618-89-3 ]
[ 1309980-11-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: magnesium / diethyl ether / Reflux 1.2: 3 h / Reflux 2.1: potassium acetate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / N,N-dimethyl-formamide / 3 h / 120 °C

Reference： [1]Current Patent Assignee: SANOFI - WO2013/87643, 2013, A1

4
[ 1309980-11-7 ]
[ 1283063-82-0 ]
[ 1443151-64-1 ]

Yield	Reaction Conditions	Operation in experiment
0.385 g	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; caesium carbonate In 1,2-dimethoxyethane; water for 5h; Reflux;	6 EXAMPLE 6: Compound 56 2-[3-(4-[2-(4-Fluorophenyl)ethyl]amino}-6-methoxy-1,3,5-triazin-2-yl)phenyl]propan-2-ol To a solution of 0.4 g of the compound of Preparation 2.1 in 10 ml of a DME/water mixture (80/20 v/v) are added 0.89 g of the compound of Preparation 3.2 and then 0.82 g of CS2CO3 and 0.1 g of tetrakis(triphenylphosphine)palladium, and the mixture is refluxed for 5 hours. The reaction mixture is concentrated under vacuum, the residue is extracted with EtOAc, the organic phase is washed with saturated NaCl solution, and dried over MgS04, and the solvent is evaporated off under vacuum. The residue is chromatographed on silica gel, eluting with a cyclohexane/EtOAc mixture in a gradient of from (100/0 v/v) to (70/30 v/v). The product obtained is taken up in ether, and the precipitate formed is drained by suction, washed with ether and dried. 0.385 g of the expected compound is obtained.

Reference： [1]Current Patent Assignee: SANOFI - WO2013/87643, 2013, A1 Location in patent: Page/Page column 24-25

5
[ 1309980-11-7 ]
4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole [ No CAS ]
2-(3-(7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)phenyl)propan-2-ol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
22%	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium carbonate In 1,2-dimethoxyethane; water for 16h; Inert atmosphere; Reflux;	10 2-(3-(7-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)phenyl)propan-2-ol (free amine) 2-(3-(7-(3,5-Dimethylisoxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-yl)phenyl)propan-2-ol (free amine) [0716] S13 (40 mg, 0.1 mmol, 1.0 equiv.) and 3-(2-hydroxy-2-propanyl)phenylboronic acid pinacol ester (90 mg, 0.3 mmol, 3.0 equiv.) were dissolved in 1,2-dimethoxyethane (4 mL). Sodium carbonate (2.0 M in water, 2 mL) was added. The system was degassed to remove oxygen and nitrogen was refilled. Pd(dppf)Cl2-CH2Cl2 (20 mg, 0.024 mmol, 0.24 equiv.) were added and the system was degassed again and refilled with nitrogen. The reaction mixture was heated at reflux for 16 h. The reaction was quenched with water and extracted with ethyl acetate. The organic layers were combined and removed on a rotary evaporator. The residue was purified by reverse phase HPLC. The HPLC eluents containing the title compound was neutralized with ammonia solution and extracted with ethyl acetate to afford the title compound as free amine (10 mg, 22% yield). 1H NMR (MeOD-d4, 300 MHz): 8.12 (s, 1H), 7.90-7.60 (m, 2H), 7.71 (t, J=7.66 Hz, 1H), 7.50 (s, 1H), 7.31 (s, 1H), 3.66 (s, 3H), 2.89 (s, 3H), 2.30 (s, 3H), 2.12 (s, 3H), 1.63 (s, 6H). ESI-MS calculated for C26H27N4O3 [M+H]+=443.21; Observed: 443.72.

Reference： [1]Current Patent Assignee: UNIVERSITY OF MICHIGAN - US2014/256706, 2014, A1 Location in patent: Paragraph 0716

6
[ 1309980-11-7 ]
5-(2-iodo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile [ No CAS ]
C₃₄H₃₁N₃O₅S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate In 1,2-dimethoxyethane; 2,2,2-trifluoroethanol at 140℃; for 1h;	68.1 Example 68: Preparation of 5-(2-(3-(2-hydroxypropan-2-yl)phenyl)-1 H-pyrrolo[2,3- b]pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile: Step 1 : To a solution of 5-(2-iodo-1 -(phenylsulfonyl)-1 H-pyrrolo[2,3-b]pyridin-4- yl)-2-((tetrahydro-2H-pyran-4-yl)oxy)benzonitrile (75 mgs, 0.128 mmol) and (2-(3- (4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol (35 mgs, 0.154 mmol) in DME (2 mL) was added 2.0 M aqueous Na2C03 (0.2 ml_, 0.4 mmol) and Pd(PPh3)4 (7 mgs, 0.006 mmol) and the reaction mixture was heated at 140 °C for 1 hr. The mixture was then cooled to rt and concentrated and used for next step without purification. LCMS-ESI+ (m/z): [M+H]+ calcd for C34H3105SN3: 594.6; found: 594.2

Reference： [1]Current Patent Assignee: GILEAD SCIENCES INC - WO2015/187684, 2015, A1 Location in patent: Page/Page column 129

7
[ 1309980-11-7 ]
N-[(1S)-1-[[2-chloro-5-[3-(1-hydroxy-1-methyl-ethyl)phenyl]phenyl]methyl]-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / water; N,N-dimethyl-formamide / 0.5 h / 80 °C / Microwave irradiation; Inert atmosphere 2: tetrabutyl ammonium fluoride / tetrahydrofuran / 20 - 80 °C

Reference： [1]Current Patent Assignee: LEO FONDET - WO2020/182666, 2020, A1

8
[ 1309980-11-7 ]
N-[(1S)-1-[[5-[3-(1-amino-1-methylethyl)phenyl]-2-chlorophenyl]methyl]-2-[4-(3,5- dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / water; N,N-dimethyl-formamide / 0.5 h / 80 °C / Microwave irradiation; Inert atmosphere 2: trifluoroacetic acid; sodium azide / chloroform / 20 °C 3: hydrogen; platinum on activated charcoal / ethyl acetate

Reference： [1]Current Patent Assignee: LEO FONDET - WO2020/182666, 2020, A1

9
[ 1309980-11-7 ]
N-[(1S)-1-[[5-[3-(1-azido-1-methylethyl)phenyl]-2-chlorophenyl]methyl]-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: potassium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂ / water; N,N-dimethyl-formamide / 0.5 h / 80 °C / Microwave irradiation; Inert atmosphere 2: trifluoroacetic acid; sodium azide / chloroform / 20 °C

Reference： [1]Current Patent Assignee: LEO FONDET - WO2020/182666, 2020, A1

10
[ 1309980-11-7 ]
N-[(1S)-1-[(5-bromo-2-chloro-phenyl)methyl]-2-[4-[3,5-dimethyl-1-(2- trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide [ No CAS ]
N-[(1S)-1-[[2-chloro-5-[3-(1-hydroxy-1-methylethyl)phenyl]phenyl]methyl]-2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
76%	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate In water; N,N-dimethyl-formamide at 80℃; for 0.5h; Microwave irradiation; Inert atmosphere;	73 N-[(1S)-1-[[2-chloro-5-[3-(1-hydroxy-1-methyl-ethyl)phenyl]phenyl]methyl]-2-[4-[3,5- dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-2-oxo-ethyl]-2-methyl- pyrazole-3-carboxamide 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propan-2-ol (30.6 mg, 0.117 mmol) was added to a solution of the compound from Preparation 72 (40.0 mg, 0.058 mmol) in DMF (0.4 mL) in a 5 mL MW vial. A solution of K2CO3 (24.2 mg, 0.003 mmol) in H2O (0.08 mL) was added and the reaction mixture was degassed with argon for 10 min. PdCl2(dppf).DCM (2.37 mg, 0.003 mmol) was added and the vial was capped and stirred for 30 min at 80°C. The reaction mixture was passed through a PTFE filter and purified by acidic HPLC directly to afford the title compound as an off-white solid. (33 mg, 76% yield).LCMS (METHOD 3) (ES): m/z 741.6 [M+H]+, RT = 0.95 min.

Reference： [1]Current Patent Assignee: LEO FONDET - WO2020/182666, 2020, A1 Location in patent: Page/Page column 75

11
[ 1309980-11-7 ]
3-bromo-6-methoxy-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazine [ No CAS ]
2-(3-(6-methoxy-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)phenyl)propan-2-ol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
42%	With chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); potassium carbonate In 1,4-dioxane; water at 85℃; for 16h; Inert atmosphere;	9 Example 9 2-(3-(6-Methoxy-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)phenyl)propan-2-ol A sample of 3-bromo-6-methoxy-7-(1-methyl-1H-pyrazol-4-yl)imidazo[12-b]pyridazine (7 mg, 0.023 mmol, see Example 2, Step 5) was dissolved in dioxane (0.38 ml) and was treated with K2CO3 (9.4 mg, 0.068 mmol), 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propan-2-ol (30 mg, 0.11 mmol) and water (0.076 ml). This solution was degassed with bubbling nitrogen for 5 minutes. Palladium XPhos G2 (3.6 mg, 4.5 μmop was added, the vial was capped, and the solution was stirred at 85° C. After 16 hours, LCMS indicated consumption of the starting material. The solution was cooled to room temperature, diluted with MeOH and water, filtered, and purified by HPLC (pH=2 method) to provide 2-(3-(6-methoxy-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)phenyl)propan-2-ol (3.5 mg, 9.6 μmol, 42% yield). LCMS calculated for C20H22 N5O2 (M+H)+: m/z=364.2; found: 364.2.

Reference： [1]Current Patent Assignee: INCYTE CORP - US2021/214366, 2021, A1 Location in patent: Paragraph 0587-0588

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P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
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. 1309980-11-7 ]

Quality Control of [ 1309980-11-7 ]

Related Doc. of [ 1309980-11-7 ]

Product Details of [ 1309980-11-7 ]

Calculated chemistry of [ 1309980-11-7 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 1309980-11-7 ]

Application In Synthesis of [ 1309980-11-7 ]

[ 1309980-11-7 ] Synthesis Path-Downstream 1~11

Related Functional Groups of [ 1309980-11-7 ]

Organoboron

Aryls

Alcohols

Esters

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

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[ 1309980-11-7 ]