3-Bromo-5-chloro benzaldehyde supplier

Name
3-BROMO-5-CHLORO-BENZALDEHYDE
EINECS
CAS No. 188813-05-0
Article Data2
CAS DataBase
Density 1.698 g/cm³
Solubility
Melting Point 68-73 °C
Formula C₇H₄BrClO
Boiling Point 264.044 °C at 760 mmHg
Molecular Weight 219.465
Flash Point 113.49 °C
Transport Information UN 3077 9/PG 3
Appearance white crystal powder
Safety 26-36/37/39-61-53
Risk Codes 36/37/38-51/53-22
Molecular Structure
Hazard Symbols Xn,N
Synonyms 3-BROMO-5-CHLORO-BENZALDEHYDE;3-Bromo-5-chlorobenzladehyde;5-Chloro-3-bromobenzaldehyde;3-BroMo-5-chlorobenzaldehyde, 98%+
PSA 17.07000
LogP 2.91500

Synthetic route

: 14862-52-3
1,3-dibromo-5-chlorobenzene

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

Conditions

Conditions	Yield
Stage #1: 1,3-dibromo-5-chlorobenzene With n-butyllithium In hexane; di-isopropyl ether at -78℃; for 0.5h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In hexane; di-isopropyl ether at -78℃; Inert atmosphere;	67%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 107-21-1
ethylene glycol

: 230642-94-1
2-(3-chloro-5-formylphenyl)-2-methylpropanenitrile

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene Inert atmosphere; Reflux;	100%
With toluene-4-sulfonic acid In toluene for 18h; Heating / reflux; Water removal;	85%
With toluene-4-sulfonic acid In toluene for 6h; Reflux; Dean-Stark;	6.05 g
With toluene-4-sulfonic acid In toluene at 140℃; for 2h; Inert atmosphere;

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 62-53-3
aniline

: C13H9BrClN

Conditions

Conditions	Yield
In toluene at 111℃; for 18h; Inert atmosphere;	93%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 68572-87-2
9-phenanthrenylboronic acid

: C21H13ClO

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water for 12h; Inert atmosphere; Reflux;	90%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 1670-14-0
benzamidine monohydrochloride

: 1073062-42-6
2-(3-bromo-5-chlorophenyl )-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: 3-bromo-5-chloro-benzaldehyde; benzamidine monohydrochloride With potassium phosphate In dimethyl sulfoxide at 90℃; for 1h; Stage #2: With magnesium sulfate; 2,3-dicyano-5,6-dichloro-p-benzoquinone In tetrahydrofuran; dimethyl sulfoxide at 20℃; for 0.166667h;	87%

: 92-91-1
biphenyl-4-acetaldehyde

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: C21H14BrClO

Conditions

Conditions	Yield
With sodium methylate In ethanol for 5h;	80%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 149-73-5
trimethyl orthoformate

: 1-bromo-3-chloro-5-(dimethoxymethyl)benzene

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In methanol for 12h; Reflux;	78%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 98-86-2
acetophenone

: C15H10BrClO

Conditions

Conditions	Yield
With sodium methylate In methanol; ethanol for 5h;	77%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 1460033-73-1
4-(3-bromo-5-chloro-benzyl)piperazine-1-carboxylic acid tert-butyl ester

Conditions

Conditions	Yield
With sodium tris(acetoxy)borohydride; triethylamine In dichloromethane at 20℃; for 16h;	76%

: 141-84-4
2-thioxo-4-thiazolidinone

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 5-(3-bromo-5-chlorobenzylidene)-2-thioxothiazolidin-4-one

Conditions

Conditions	Yield
With sodium hydroxide In ethanol Reflux;	75%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: ((1-bromo-3-chloro-naphthalene-7-yl)methyl)triphenylphosphonium bromide

: 1-bromo-7-(2-(3-bromo-5-chlorophenyl)vinyl)-3-chloronaphthalene

Conditions

Conditions	Yield
Stage #1: ((1-bromo-3-chloro-naphthalene-7-yl)methyl)triphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran for 5h; Inert atmosphere; Reflux; Stage #2: 3-bromo-5-chloro-benzaldehyde In tetrahydrofuran at 0 - 20℃; for 12h;	70%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: ((1-bromo-4-chloro-naphthalene-7-yl)methyl)triphenylphosphonium bromide

: 4-bromo-6-(2-(5-bromo-3-chlorophenyl)vinyl)-1-chloronaphthalene

Conditions

Conditions	Yield
Stage #1: ((1-bromo-4-chloro-naphthalene-7-yl)methyl)triphenylphosphonium bromide With potassium tert-butylate In tetrahydrofuran for 5h; Inert atmosphere; Reflux; Stage #2: 3-bromo-5-chloro-benzaldehyde In tetrahydrofuran at 0 - 20℃; for 12h; Inert atmosphere; Reflux;	67%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 73183-34-3
bis(pinacol)diborane

: 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; palladium diacetate In 1,4-dioxane for 12h; Reflux;	63%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 440680-34-2
(6-bromopyridin-2-yl)boronic acid

: 3-(6-bromopyridin-2-yl)-5-chlorobenzaldehyde

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water for 24h; Reflux;	62%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water for 24h; Reflux;	62%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: C23H19N3

: C30H19BrClN3

Conditions

Conditions	Yield
Stage #1: 3-bromo-5-chloro-benzaldehyde; C23H19N3 In ethanol at 20℃; for 0.5h; Stage #2: With [bis(acetoxy)iodo]benzene In ethanol at 20℃; for 3h;	61%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 937729-06-1
1,8-diazaspiro[4.5]decane-8-carboxylic acid tert butyl ester

: tert-butyl 1-(3-bromo-5-chlorobenzyl)-1,8-diazaspiro[4.5]decane-8-carboxylate

Conditions

Conditions	Yield
Stage #1: 3-bromo-5-chloro-benzaldehyde; 1,8-diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester In dichloromethane at 20℃; for 2h; Molecular sieve; Inert atmosphere; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane at 20℃; Time; Molecular sieve; Inert atmosphere;	60%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 89598-96-9
(3-bromophenyl)boronic acid

: 3'-bromo-5-chloro-[1,1'-biphenyl]-3-carbaldehyde

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water for 24h; Reflux;	60%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 58804-62-9
N-phenylpent-4-enamide

: 3-chloro-5-((5-oxo-1-phenylpyrrolidin-2-yl)methyl)benzaldehyde

Conditions

Conditions	Yield
With Ir(dF(CF3)ppy)2(bpy)PF6; Ni(4,4'-dimethoxy-2,2'-bipyridine)(H2O)2Br2; dibutylphosphoric acid tetrabutylammonium salt In toluene; tert-butyl alcohol at 20℃; for 48h; Inert atmosphere; Sealed tube; Irradiation;	56%

: 637-69-4
4-Methoxystyrene

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: (E)-3-chloro-5-(4-methoxystyryl)benzaldehyde

Conditions

Conditions	Yield
With palladium diacetate; triethylamine; tris-(o-tolyl)phosphine In N,N-dimethyl acetamide at 100℃; for 16h; Inert atmosphere;	54%
With palladium diacetate; triethylamine; tris-(o-tolyl)phosphine In N,N-dimethyl acetamide at 100℃; for 16h;	54%

: 110-91-8
morpholine

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 1446818-81-0
3-chloro-5-morpholinobenzaldehyde

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 90℃; Inert atmosphere;	52%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: potassium ((4-(tert-butoxycarbonyl)piperidin-1-yl)methyl)trifluoroborate

: tert-butyl 1-(3-chloro-5-formylbenzyl)piperidine-4-carboxylate

Conditions

Conditions	Yield
With palladium diacetate; caesium carbonate; XPhos In tetrahydrofuran; water at 80℃; Inert atmosphere;	47%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 94-09-7
p-aminoethylbenzoate

: 1343455-97-9
4-{[1-(3-bromo-5-chloro-phenyl)-methylidene]-amino}-benzoic acid ethyl ester

Conditions

Conditions	Yield
In ethanol for 2h; Reflux;	35%
In ethanol for 2h; Reflux;	35%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 141449-85-6
tert-butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

: tert-butyl 5-(3-chloro-5-formylphenyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 80℃; Inert atmosphere;	32%

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 141-82-2
malonic acid

: ClBrC6H3CH(NH2)CH2COOH

Conditions

Conditions	Yield
With ammonium acetate In isopropyl alcohol Heating;

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: ClBrC6H3CH(NH2)CH2COOC2H5

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: ammonium acetate / propan-2-ol / Heating 2: HCl View Scheme

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: 792907-29-0
ClBrC6H3CH(NH2)CH2COOC2H5

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ammonium acetate / propan-2-ol / Heating 2: HCl 3: immobilized Pseudomonas cepacia lipase / various solvent(s) / 24 h / 20 °C View Scheme

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: ClBrC6H3CH(NH2)CH2COOH

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ammonium acetate / propan-2-ol / Heating 2: HCl 3: immobilized Pseudomonas cepacia lipase / various solvent(s) / 24 h / 20 °C View Scheme

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: C22H22ClBrFN5O5C2H4

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: ammonium acetate / propan-2-ol / Heating 2.1: HCl 3.1: immobilized Pseudomonas cepacia lipase / various solvent(s) / 24 h / 20 °C 4.1: isobutyl chloroformate; N-methylmorpholine / N,N-dimethyl-acetamide / 0.25 h / 5 - 20 °C 4.2: N-methylmorpholine / N,N-dimethyl-acetamide / 20 °C View Scheme

: 188813-05-0
3-bromo-5-chloro-benzaldehyde

: C22H22ClBrFN5O5

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: ammonium acetate / propan-2-ol / Heating 2.1: HCl 3.1: immobilized Pseudomonas cepacia lipase / various solvent(s) / 24 h / 20 °C 4.1: isobutyl chloroformate; N-methylmorpholine / N,N-dimethyl-acetamide / 0.25 h / 5 - 20 °C 4.2: N-methylmorpholine / N,N-dimethyl-acetamide / 20 °C 5.1: aq. NaOH / acetonitrile / 3 h / 20 °C View Scheme

3-Bromo-5-chloro benzaldehyde Specification

The 3-Bromo-5-chloro benzaldehyde, with the CAS registry number 188813-05-0, is also known as 3-Bromo-5-chloro-benzaldehyde. It belongs to the product categories of C7 Chemical Synthesis; Aldehydes; Carbonyl Compounds; New Products for Chemical Synthesis; Organic Building Blocks. This chemical's molecular formula is C₇H₄BrClO and molecular weight is 219.46. What's more, both its IUPAC name and systematic name are the same which is called 3-Bromo-5-chlorobenzaldehyde. It is white crystal powder.

Physical properties about 3-Bromo-5-chloro benzaldehyde are: (1) ACD/LogP: 3.69; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 129; (6) ACD/BCF (pH 7.4): 129; (7) ACD/KOC (pH 5.5): 1126; (8) ACD/KOC (pH 7.4): 1126; (9)#H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 17.07 Å²; (13) Index of Refraction: 1.623; (14) Molar Refractivity: 45.591 cm³; (15) Molar Volume: 129.235 cm³; (16) Surface Tension: 47.176 dyne/cm; (17) Density: 1.698 g/cm³; (18) Flash Point: 113.49 °C; (19) Enthalpy of Vaporization: 50.19 kJ/mol; (20) Boiling Point: 264.044 °C at 760 mmHg; (21) Vapour Pressure: 0.01 mmHg at 25 °C; (22) Melting Point: 68-73 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It may present an immediate or delayed danger to one or more components of the environment. In addition, it is harmful if swallowed and may cause damage to health. This chemical is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You should avoid exposuring and avoid releasing to the environment. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(C=O)cc(Br)c1
(2) InChI: InChI=1/C7H4BrClO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H
(3) InChIKey: JGMGDYUVFBBCEQ-UHFFFAOYAH

Product Name

3-BROMO-5-CHLORO-BENZALDEHYDE

Synthetic route

3-Bromo-5-chloro benzaldehyde Specification

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