[ CAS No. 1191028-48-4 ]

Name: 1191028-48-4|4-Bromo-5-chloro-1H-indole|97%
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Quality Control of [ 1191028-48-4 ]

COA NMR CNMR HPLC LC-MS

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Alternatived Products of [ 1191028-48-4 ]

Product Details of [ 1191028-48-4 ]

CAS No. :	1191028-48-4	MDL No. :	MFCD22628142
Formula :	C₈H₅BrClN	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	N/A
M.W :	230.49 g/mol	Pubchem ID :	-
Synonyms :

Safety of [ 1191028-48-4 ]

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 [ 1191028-48-4 ]

* 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 [ 1191028-48-4 ]
Downstream synthetic route of [ 1191028-48-4 ]

[ 1191028-48-4 ] Synthesis Path-Upstream 1~1

1
[ 16588-26-4 ]
[ 1826-67-1 ]
[ 1191028-50-8 ]
[ 1191028-48-4 ]

Yield	Reaction Conditions	Operation in experiment
9.7%	Stage #1: at -40℃; for 1 h; Stage #2: With ammonium chloride In tetrahydrofuran; water at -40 - 20℃;	A 1.0 M solution of vinylmagnesium bromide in TηF (0.13 L, 130 mmol) is added slowly to 10 g (43 mmol) of 3-bromo-4-chloro-nitrobenzene in 140 mL of TηF at -40 °C. The mixture is stirred at -40 C for an additional hour when aqueous NH₄Cl is added. The mixture is allowed to warm to rt, and then is extracted with EtOAc. The extract is washed with brine, dried over MgSO₄, filtered, concentrated, and purified twice by chromatography (33percent EtOAc in hexanes) to provide 0.95 g (9.7percent) of 4-bromo-5-chloro-lH-indole and 0.77 g (7.9percent) of 6- bromo-5-chloro-lH-indole. Each of the indole products is separately treated with 1.1 equivalents of BoC₂O and 0.2 equivalents of DMAP in MeCN. The mixtures are <n="128"/>concentrated and the residues chromatographed (10percent EtOAc in hexanes) to provide 1-011 (32percent) and 1-012 (48percent).

Reference： [1] Patent: WO2009/126675, 2009, A1, . Location in patent: Page/Page column 125

[ 1191028-48-4 ] Synthesis Path-Downstream 1~2

1
[ 24424-99-5 ]
[ 1191028-48-4 ]
[ 1191028-42-8 ]

Yield	Reaction Conditions	Operation in experiment
32%	With dmap In acetonitrile	I-011; I-012 A 1.0 M solution of vinylmagnesium bromide in TηF (0.13 L, 130 mmol) is added slowly to 10 g (43 mmol) of 3-bromo-4-chloro-nitrobenzene in 140 mL of TηF at -40 °C. The mixture is stirred at -40 C for an additional hour when aqueous NH4Cl is added. The mixture is allowed to warm to rt, and then is extracted with EtOAc. The extract is washed with brine, dried over MgSO4, filtered, concentrated, and purified twice by chromatography (33% EtOAc in hexanes) to provide 0.95 g (9.7%) of 4-bromo-5-chloro-lH-indole and 0.77 g (7.9%) of 6- bromo-5-chloro-lH-indole. Each of the indole products is separately treated with 1.1 equivalents of BoC2O and 0.2 equivalents of DMAP in MeCN. The mixtures are concentrated and the residues chromatographed (10% EtOAc in hexanes) to provide 1-011 (32%) and 1-012 (48%).

Reference： [1]Current Patent Assignee: C.H. Boehringer Sohn AG & Co. KG - WO2009/126675, 2009, A1 Location in patent: Page/Page column 125-126

2
[ 16588-26-4 ]
[ 1826-67-1 ]
[ 1191028-50-8 ]
[ 1191028-48-4 ]

Yield	Reaction Conditions	Operation in experiment
7.9%; 9.7%		A 1.0 M solution of vinylmagnesium bromide in TetaF (0.13 L, 130 mmol) is added slowly to 10 g (43 mmol) of 3-bromo-4-chloro-nitrobenzene in 140 mL of TetaF at -40 C. The mixture is stirred at -40 C for an additional hour when aqueous NH4Cl is added. The mixture is allowed to warm to rt, and then is extracted with EtOAc. The extract is washed with brine, dried over MgSO4, filtered, concentrated, and purified twice by chromatography (33% EtOAc in hexanes) to provide 0.95 g (9.7%) of 4-bromo-5-chloro-lH-indole and 0.77 g (7.9%) of 6- bromo-5-chloro-lH-indole. Each of the indole products is separately treated with 1.1 equivalents of BoC2O and 0.2 equivalents of DMAP in MeCN. The mixtures are <n="128"/>concentrated and the residues chromatographed (10% EtOAc in hexanes) to provide 1-011 (32%) and 1-012 (48%).

Reference： [1]Patent: WO2009/126675,2009,A1 .Location in patent: Page/Page column 125

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Ghs Precautionary Statements

Precautionary Statements-General
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P320
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P321
P322
P330	Rinse mouth.
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P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
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:
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P372	Explosion risk in case of fire.
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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.
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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.
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P401
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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.
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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.
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P501	Dispose of contents/container to ...
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Physical hazards
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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
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H231	May react explosively even in the absence of air at elevated pressure and/or temperature
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H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
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H252	Self-heating in large quantities; may catch fire
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H261	In contact with water releases flammable gas
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Health hazards
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H302	Harmful if swallowed
H303	May be harmful if swallowed
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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
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H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
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H319	Causes serious eye irritation
H320	Causes eye irritation
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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. 1191028-48-4 ]

Quality Control of [ 1191028-48-4 ]

Related Doc. of [ 1191028-48-4 ]

Product Details of [ 1191028-48-4 ]

Safety of [ 1191028-48-4 ]

Application In Synthesis of [ 1191028-48-4 ]

[ 1191028-48-4 ] Synthesis Path-Upstream 1~1

[ 1191028-48-4 ] Synthesis Path-Downstream 1~2

Related Functional Groups of [ 1191028-48-4 ]

Chlorides

Bromides

Related Parent Nucleus of [ 1191028-48-4 ]

Indoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 1191028-48-4 ]

Related Parent Nucleus of
[ 1191028-48-4 ]