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Quality Control of [ 1104636-68-1 ] Purity: 95% SDS Specification

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Product Details of [ 1104636-68-1 ]

CAS No. :	1104636-68-1
Formula :	C₇H₉BBrNO₄
M.W :	261.87
SMILES Code :	O=C(O1)C[N+](C2)(C)[B-]1(/C=C/Br)OC2=O
English Name :	(E)-8-(2-Bromovinyl)-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide
MDL No. :	MFCD11215253

Safety of [ 1104636-68-1 ]

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Application In Synthesis of [ 1104636-68-1 ]

* 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 [ 1104636-68-1 ]

[ 1104636-68-1 ] Synthesis Path-Downstream 1~14

1
[ 4408-64-4 ]
[ 114701-85-8 ]
[ 1104636-68-1 ]

Yield	Reaction Conditions	Operation in experiment
60%	With 2,6-dimethylpyridine In dimethyl sulfoxide treatment of boron compd. with acetic acid deriv. in presence of lutidine in DMSO at 0 with warming to 23°C;
60%	With 2,6-dimethylpyridine In dimethyl sulfoxide at 23℃; for 48h;
60%	With 2,6-dimethylpyridine In dimethyl sulfoxide at 0 - 23℃; for 48.25h;	11 Example 11; Synthesis of Protected Haloalkenylboronic Acid 54a; (E)-(2-bromoethenyl)dibromoborane (59) was synthesized according to a literature procedure (Hyuga, S., 1987). A subsequent reaction with 59 was conducted in a subdued light environment in an oven-dried 500 mL three-neck round bottom flask equipped with a magnetic stir bar. To a stirred mixture of N-methyliminodiacetic acid (MIDA, 1) (16.93 g, 113.9 mmol, 1.50 eq.) and 2,6-lutidine (17.69 mL, 151.86 mmol, 2.0 eq.) in DMSO (250 mL) at 0° C. under nitrogen was added freshly distilled 59 (21.00 g, 75.93 mmol) dropwise via syringe over 15 min. The reaction mixture was allowed to warm to 23° C. and then stirred at 23° C. for 48 h. The resulting yellow mixture was treated with water (300 mL) and extracted with THF:diethyl ether 1:1 (3×500 mL). The combined organic phases were washed with brine (3×350 mL), dried over anhydrous magnesium sulfate, and concentrated in vacuo to provide a light yellow solid. The crude product was purified by flash chromatography on silica gel (EtOAc:petroleum ether 1:1→EtOAc→EtOAc:MeCN 9:1) to give 54a as a colorless crystalline solid (11.98 g, 45.75 mmol, 60%). Crystals suitable for X-ray crystallography analysis were grown by slow evaporation from ethyl acetate at 23° C. This material was stored under air at 23° C. for one year and six months without decomposition.

References: [1]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].
[2]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].
[3]Current Patent Assignee: UNIVERSITY OF ILLINOIS SYSTEM - US2009/30238, 2009, A1 Location in patent: Page/Page column 17.

2
[ 1104636-68-1 ]
[ 73183-34-3 ]
[ 1005452-32-3 ]

Yield	Reaction Conditions	Operation in experiment
77%	With potassium acetate In toluene at 45℃; for 36h;	12 Example 12; Synthesis of Bis-Borylated Olefin, and its Use in Selective Cross-CouplingSynthesis of (E)-(2-pinacolethenyl)boronate ester (61); A solution of the catalyst was prepared as follows: A 20 mL Wheaton vial equipped with a magnetic stir bar was charged with PdCl2(CH3CN)2 (7.9 mg, 0.030 mmol, 1.0 eq.) and 2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl (4d) (38.0 mg, 0.090 mmol, 3.0 eq.). Toluene (3.00 mL) was added and the vial was sealed with a PTFE-lined plastic cap. The resulting mixture was stirred at 23° C. for 30 min yielding a clear yellow Pd/4d catalyst solution.This catalyst solution was then utilized in the following procedure: A 30 mL Wheaton vial equipped with a magnetic stir bar was charged with 54a (0.262 g, 1.00 mmol, 1.0 eq.), bis(pinacolato)diboron (60) (0.324 g, 1.25 mmol, 1.25 eq.), potassium acetate (0.297 g, 3.00 mmol, 3.0 eq.), toluene (5.0 mL), and catalyst solution (3.0 mL, 3.0 mol % Pd). The vial was sealed with a PTFE-lined plastic cap, and the reaction mixture was stirred for 36 h at 45° C. The resulting heterogeneous mixture was diluted with ethyl acetate (5.0 mL) and filtered through short pad of Celite. Concentration of the filtrate in vacuo provided a light yellow solid. This crude product was purified by flash chromatography on silica gel (EtOAc:Petroleum ether 1:1→EtOAc→EtOAc:MeCN 15:1) to give (E)-(2-pinacolethenyl)boronate ester 61 as a colorless crystalline solid (0.219 g, 0.710 mmol, 71%). Crystals suitable for X-ray crystallography analysis were grown by slow evaporation from EtOAc at 23° C. This material was stored under air at 23° C. for one year and six months without decomposition.
71%	With dichloro bis(acetonitrile) palladium(II); potassium acetate In toluene reaction between boron compds. in presence of palladium compd., potassium acetate and phosphine deriv. in toluene at 45°C;
71%	With potassium acetate In toluene at 45℃; for 45h;

References: [1]Current Patent Assignee: UNIVERSITY OF ILLINOIS SYSTEM - US2009/30238, 2009, A1 Location in patent: Page/Page column 17-18.
[2]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].
[3]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].

3
[ 1104636-68-1 ]
[ 96-33-3 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
90%	With palladium diacetate; triethylamine; triphenylphosphine In N,N-dimethyl-formamide reaction of boron compd. with methyl acrylate in presence of palladium compd., triethylamine and phosphine deriv. in DMF at 45°C;
90%	With triethylamine; triphenylphosphine In N,N-dimethyl-formamide at 45℃; for 12h;
90%	With triethylamine In N,N-dimethyl-formamide at 45℃; for 12h;	14 Heck Coupling-Synthesis of (E,E)-1,3-butadienyl-(4-methylester)boronate ester (72); A 30 mL Wheaton vial equipped with a magnetic stir bar was charged with 54a (0.262 g, 1.00 mmol, 1.0 eq.), PPh3 (0.0159 g, 0.060 mmol, 6.0 mol %), Pd(OAc)2 (0.0067 g, 0.030 mmol, 3.0 mol % Pd), Et3N (0.279 mL, 2.00 mmol, 2.0 eq.; based on 54a), methyl acrylate (71) (0.136 mL, 1.50 mmol, 1.5 eq.), and DMF (7.0 mL). The vial was sealed with a PTFE-lined plastic cap, and the reaction mixture was stirred at 45° C. for 12 h. The resulting mixture was diluted with brine (50 mL) and extracted with ethyl acetate (3×100 mL). The combined organic layers were dried over anhydrous magnesium sulfate and concentrated in vacuo. The crude product was purified by flash chromatography on silica gel (EtOAc:Petroleum ether 1:1→EtOAc→EtOAc:MeCN 15:1) to give 72 as a light yellow solid (0.240 g, 0.898 mmol, 90%).

4
[ 1104636-68-1 ]
[ 1066-54-2 ]
[ 1005452-31-2 ]

Yield	Reaction Conditions	Operation in experiment
73%	With piperidine; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾ In tetrahydrofuran reaction of boron compd. with acetylene deriv. in presence of palladium compd., piperidine and CuI in THF at 23°C;

References: [1]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].

5
[ 1104636-68-1 ]
[ 59239-44-0 ]
[ 1005452-39-0 ]

Yield	Reaction Conditions	Operation in experiment
96%	With palladium diacetate; potassium fluoride In toluene reaction between boron compds. in presence of palladium compd., KF and phosphine deriv. in toluene at 23°C;

References: [1]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].

6
[ 1104636-68-1 ]
[ CAS Unavailable ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
78%	With palladium diacetate; potassium phosphate In toluene reaction between boron compds. in presence of palladium compd., K3PO4 and phosphine deriv. in toluene at 23°C; chromy.;
78%	With potassium phosphate In toluene at 23℃; for 60h;	16 Example 16; Total Synthesis of All-Trans-Retinal Using Iterative Suzuki-Miyaura Reactions; First Coupling-Synthesis of tetraenylboronate ester (84)A solution of the catalyst was prepared as follows: To a 4 mL vial equipped with a stir bar and containing 2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl (4d) (23.1 mg, 0.056 mmol, 2.0 eq.) was added a solution of Pd(OAc)2 in toluene (0.038 M, 0.740 mL, 0.028 mmol, 1.0 eq.). The vial was sealed with a PTFE-lined cap and maintained at 65° C. with stirring for 15 min.This catalyst solution was then utilized in the following procedure: To a 40 mL I-Chem vial equipped with a magnetic stir bar and containing a solution of 83 in toluene (estimated 0.17 M, 11.5 mL, 1.96 mmol, 1.5 eq.) was added anhydrous K3PO4 as a finely ground powder (0.833 g, 3.92 mmol, 3.0 eq.), 54a (0.342 g, 1.30 mmol, 1.0 eq.), and the catalyst solution (0.688 mL, 0.026 mmol Pd, 2 mol % Pd). The resulting mixture was sealed with a PTFE-lined cap and stirred at 23° C. for 60 h. The mixture was then filtered through a pad of silica gel with copious amounts of acetonitrile. To the resulting solution was added Florisil and the solvent was removed in vacuo. The resulting powder was dry-loaded on top of a silica gel column and flash chromatography was performed (hexanes:EtOAc 1:1→EtOAc→EtOAC:MeCN 9:1) to yield protected tetraenylboronate ester 84 as a yellow powder (0.377 g, 1.02 mmol, 78%).

7
[ 1104636-68-1 ]
[ 1104636-69-2 ]
[ 1005452-33-4 ]

Yield	Reaction Conditions	Operation in experiment
66%	With palladium diacetate In tetrahydrofuran reaction of boron compd. with zinc compd. in presence of palladium compd. and phosphine deriv. in THF at 0°C;

References: [1]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].

8
[ 1104636-68-1 ]
[ 6783-05-7 ]
[ 1005452-28-7 ]

Yield	Reaction Conditions	Operation in experiment
92%	With palladium diacetate; potassium fluoride In toluene reaction between boron compds. in presence of palladium compd., phosphine deriv. and KF in toluene at 23°C;

References: [1]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].

9
[ 1104636-68-1 ]
[ 7486-35-3 ]
[ 1105069-17-7 ]

Yield	Reaction Conditions	Operation in experiment
91%	With Pd₂(C₆H₅CHCHCOCHCHC₆H₅)3; P(C₄H₃O)3 In N,N-dimethyl-formamide reaction of boron compd. with tin compd. in presence of palladium compd.and phosphine deriv. in DMF at 45°C;

References: [1]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].

10
[ 1104636-68-1 ]
[ 59239-44-0 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
96%	With potassium fluoride In toluene at 23℃; for 36h;
96%	With potassium fluoride In toluene at 23℃; for 36h;	14 Example 14; Selective Couplings Using Protected Haloalkenylboronic Acid 54aSuzuki-Miyaura Coupling-Synthesis of (E,E)-1,3-heptadienylboronate ester (68); A solution of the catalyst was prepared as follows: An oven-dried Wheaton vial equipped with a magnetic stir bar was charged with Pd(OAc)2 (5.60 mg, 0.025 mmol, 1.0 eq.) and 2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl (4d) (20.5 mg, 0.050 mmol, 2.0 eq.). Toluene (3.00 mL) was added and the vial was sealed with a PTFE-lined plastic cap. The resulting mixture was stirred at 23° C. for 45 min. resulting in a yellow Pd/4d catalyst solution (0.00833 N Pd in toluene).This catalyst solution was then utilized in the following procedure: An oven-dried Wheaton vial equipped with a magnetic stir bar was charged with 54a (0.262 g, 1.00 mmol, 1.0 eq.), (E)-1-pentenylboronic acid 55 (0.171 g, 1.50 mmol, 1.5 eq.), KF (0.116 g, 2.00 mmol, 2.0 eq.), toluene (7.0 mL) and the catalyst solution (1.20 mL, 0.01 mmol, 1.0 mol % Pd). The vial was then sealed with PTFE-lined plastic cap, and the reaction mixture was stirred at 23° C. for 36 h. The resulting heterogeneous light yellow mixture was diluted with acetonitrile (10.0 mL) and filtered through a short pad of Celite. The filtrate was concentrated in vacuo. The crude product was then purified by flash chromatography on silica gel (petroleum ether:EtOAc 1:1→EtOAc→EtOAc:MeCN 9:1) to give 68 as a colorless crystalline solid (0.241 g, 0.959 mmol, 96%).
79%	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium fluoride; palladium diacetate In toluene at 25℃; for 120h; Inert atmosphere;	5.1.5. General procedure for (1E,3E)-1,3-alkadienyl MIDA boronate esters (6a-c) General procedure: A solution of the Pd/S-Phos catalyst was prepared by mixing Pd(OAc)2 (0.03mmol) and S-Phos (0.052mmol) in anhydrous toluene (3mL). The resulting solution was stirred at room temperature for 45min and used in the Suzuki reaction, as follows: Method A: A mixture of (E)-1-propenylboronic acid (3.5mmol), trans-(2-bromovinyl) MIDA boronate ester (2.33mmol), Cs2CO3 (7.00mmol) and catalyst solution in 22mL of anhydrous THF was stirred at room temperature for 5 days under an argon positive pressure. The resulting heterogeneous mixture was diluted with MeCN and filtered through a short pad of Celite. The filtrate was concentrated in vacuum. The crude product was triturated in PE and filtered then washed with PE to give the MIDA boronate esters 6a-c. Method B: A mixture of (E)-1-pentenylboronic acid (2.73mmol), trans-(2-bromovinyl) MIDA boronate ester (1.82mmol), KF (3.6mmol) and the catalyst solution 15mL of dry toluene was stirred at 25°C for 5 days under an argon positive pressure, then the slurry was diluted with acetonitrile (15mL) and filtered through a short pad of Celite. The filtrate was concentrated in vacuo, then the crude is triturated in PE, until the appearance of the crystals which were filtered and washed with PE to give the MIDA boronate esters 6a-c.

References: [1]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].
[2]Current Patent Assignee: UNIVERSITY OF ILLINOIS SYSTEM - US2009/30238, 2009, A1 Location in patent: Page/Page column 18.
[3]Ronga, Luisa; Del Favero, Marco; Cohen, Anita; Soum, Claire; Le Pape, Patrice; Savrimoutou, Solène; Pinaud, Noël; Mullié, Catherine; Daulouede, Sylvie; Vincendeau, Philippe; Farvacques, Natacha; Agnamey, Patrice; Pagniez, Fabrice; Hutter, Sébastien; Azas, Nadine; Sonnet, Pascal; Guillon, Jean [European Journal of Medicinal Chemistry, 2014, vol. 81, p. 378 - 393].

11
[ 1104636-68-1 ]
[ 6783-05-7 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
92%	With potassium fluoride In toluene at 23℃; for 24h;
92%	With potassium fluoride In toluene at 23℃; for 24h;	14 Suzuki-Miyaura Coupling-Synthesis of (E,E)-1,3-butadienyl-(4-phenyl)boronate ester (80); A solution of the catalyst was prepared as follows: A 20 mL Wheaton vial equipped with a magnetic stir bar was charged with Pd(OAc)2 (5.60 mg, 0.025 mmol, 1.0 eq.) and 2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl (4d) (20.5 mg, 0.050 mmol, 2.0 eq.). Toluene (3.00 mL) was added and the vial was sealed with a PTFE-lined plastic cap. The resulting mixture was stirred at 23° C. for 45 min. resulting in a yellow Pd/4d catalyst solution (0.00833 N Pd in toluene).This catalyst solution was then utilized in the following procedure: A 30 mL Wheaton vial equipped with a magnetic stir bar was charged with 54a (0.262 g, 1.00 mmol, 1.0 eq.), trans-2-phenylvinylboronic acid (0.229 g, 1.50 mmol, 1.5 eq.), KF (0.116 g, 2.00 mmol, 2.0 eq.; based on 54a), toluene (7.0 mL), and the catalyst solution (1.20 mL, 0.01 mmol, 1.0 mol % Pd). The vial was then sealed with a PTFE-lined plastic cap, and the reaction mixture was stirred for 24 hr at 23° C. The resulting heterogeneous yellow mixture was diluted with acetonitrile (10.0 mL), filtered through short pad Celite using acetonitrile (100 mL), and concentrated in vacuo. The crude product was purified by flash chromatography on silica gel (EtOAc:Petroleum ether 1:1→EtOAc→EtOAc:MeCN 2:1) to give 80 as a colorless crystalline solid (0.263 g, 0.922 mmol, 92%).

12
[ 1104636-68-1 ]
[ 7486-35-3 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
91%	In N,N-dimethyl-formamide at 45℃; for 12h;
91%	In N,N-dimethyl-formamide at 45℃; for 12h;	14 Stille Coupling-Synthesis of (E,E)-1,3-butadienyl-boronate ester (70); A 30 mL Wheaton vial equipped with a magnetic stir bar was charged with 54a (0.262 g, 1.00 mmol, 1.0 eq.), Pd2dba3 (0.037 g, 0.040 mmol, 4.0 mol % Pd), Fur3P (0.021 g, 0.090 mmol, 9.0 mol %), DMF (8.0 mL) and tributyl(vinyl)tin (69) (0.346 mL, 1.15 mmol, 1.15 eq.). The vial was then sealed with a PTFE-lined plastic cap, and the reaction mixture was stirred for 12 h at 45° C. The resulting reddish mixture was diluted with brine (50 mL) and then extracted with ethyl acetate (3×100 mL). The combined organic fractions were dried over anhydrous magnesium sulfate and concentrated in vacuo. The crude product was purified by flash chromatography on silica gel (EtOAc:Petroleum ether 1:1→EtOAc→EtOAc:MeCN 15:1) to give 70 as a colorless crystalline solid (0.190 g, 0.909 mmol, 91%).

13
[ 1104636-68-1 ]
[ 1066-54-2 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
73%	With piperidine In tetrahydrofuran at 23℃; for 3h;
73%	With piperidine In tetrahydrofuran at 23℃; for 3h;	14 Sonogashira Coupling-Synthesis of (E)-2-trimethylsilylethyleneboronate ester (74); A 30 mL Wheaton vial equipped with a magnetic stir bar was charged with 54a (0.262 g, 1.00 mmol, 1.0 eq.), Pd(PPh)4 (0.058 g, 0.050 mmol, 5.0 mol %), Cul (0.019 g, 0.100 mmol, 10.0 mol %), piperidine (0.227 mL, 2.30 mmol, 3.0 eq.), THF (5.0 mL), and trimethylsilylacetylene (73) (0.166 mL, 1.15 mmol, 1.5 eq.). The vial was then sealed with a PTFE-lined plastic cap, and the reaction mixture was stirred at 23° C. for 3 h. The resulting mixture was diluted with EtOAc (5.0 mL) and filtered through a short pad of silica gel using EtOAc (100 mL). The filtrate was concentrated in vacuo, and the resulting crude product was purified by flash chromatography on silica gel (EtOAc:Petroleum ether 1:1→EtOAc) to give 74 as a colorless crystalline solid (0.203 g, 0.728 mmol, 73%).

14
[ 1104636-68-1 ]
[ 550364-43-7 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
78%	With potassium phosphate In toluene at 23℃; for 60h;

References: [1]Suk, Joong Lee; Gray, Kaitlyn C.; Paek, James S.; Burke, Martin D. [Journal of the American Chemical Society, 2008, vol. 130, # 2, p. 466 - 468].

Historical Records

Technical Information

• Acyl Group Substitution • Alkyl Halide Occurrence • Bouveault-Blanc Reduction • Catalytic Hydrogenation • Complex Metal Hydride Reductions • Ester Cleavage • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Dihalides • Reactions with Organometallic Reagents • Specialized Acylation Reagents-Carbodiimides and Related Reagents • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling

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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

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

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CAS No.: 1104636-68-1

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CAS No.: 1104636-68-1

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[ 1104636-68-1 ] Synthesis Path-Downstream 1~14

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