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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 70741Generated: October 23, 2026

4-Bromobenzaldehyde

Bromobenzaldehyde · 4-BBA · 4-Brombenzaldehyd · 4-bromo-benzaldehyd · P-BROMOBENZALDEHYDE · 4-BROMOBENZYLALDEHYDE · 4-Bromobenzaldehyde99% · BRBA1

https://huagongshe.com/en/chemical/70741

4-Bromobenzaldehyde molecular structure

Identifiers & Physical Properties

CAS No.1122-91-4
Molecular formulaC7H5BrO
Average molar mass185.02 g/mol
Monoisotopic mass183.95238 g/mol
SMILESO=Cc1ccc(Br)cc1
InChIKeyZRYZBQLXDKPBDU-UHFFFAOYSA-N
PubChem CID70741
ChEMBLCHEMBL3753357
EC No.214-365-0
DTXSIDDTXSID5061534

Chemical & Physical Properties

XLogP2.2
Topological polar surface area17.1
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds1
Heavy atoms9
Formal charge0
Complexity95
Physical DescriptionWhite crystalline powder[Alfa Aesar MSDS]
Kovats Retention Index1207.11216.51229
Melting point55-58 °C(lit.)
Boiling point66-68°C 2mm
Density1.85 g/cm3
Bulk density670kg/m3
Refractive index1.5727 (estimate)
Flash point228 °F
Storage conditionsStore below +30°C.
SolubilityChloroform, Ethyl AcetateINSOLUBLE
Physical stateCrystalline Solid
ColorWhite
SensitivityAir Sensitive
BRN507100
InChI1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKeyZRYZBQLXDKPBDU-UHFFFAOYSA-N
SMILES[H]C(=O)c1ccc(Br)cc1
LogP (partition coefficient)2.75 at 25℃
CAS DataBase Reference1122-91-4(CAS DataBase Reference)
EWG's Food Scores1
FDA UNII4L8VM24F65
NIST Chemistry ReferenceBenzaldehyde, 4-bromo-(1122-91-4)
EPA Substance Registry SystemBenzaldehyde, 4-bromo- (1122-91-4)
UNSPSC Code12352114
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H317-H319-H335
GHS precautionary statementsP261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Target organsRespiratory system
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard symbolsXn,Xi
Risk statements (R)22-36/37/38-43
Safety statements (S)26-36/37-36/37/39-22
UN transport number2811
Water hazard class (WGK)2
RTECS numberCU4810000
Hazard NoteIrritant/Harmful/Air Sensitive
TSCA inventory statusTSCA listed
Hazard class6.1(b)Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Packing groupIII
Customs code29130000
Storage class11 - Combustible Solids
REACH registrationsActive

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 1.3% (1 of 78) of reports.DangerH302 (73.1%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (98.7%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (98.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H334 (48.7%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]H335 (94.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 78 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 78 reports by companies.There are 16 notifications provided by 77 of 78 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatory informationChemical: Benzaldehyde, 4-bromo-Status: Active Update: 16-04-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/193724-Bromobenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards summaryA skin and strong eye irritantHarmful by ingestion[Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (73.1%)Skin Irrit. 2 (98.7%)Eye Irrit. 2A (98.7%)Resp. Sens. 1 (48.7%)STOT SE 3 (94.9%)
Personal protective equipment (PPE)dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Water hazard class (WGK)2
TSCA inventory statusTSCA listed
RTECS numberCU4810000
UN transport number2811
Customs code29130000
Risk statements (R)22-36/37/38-43
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXn,Xi
hazard_noteIrritant/Harmful/Air Sensitive
Safety statements (S)26-36/37-36/37/39-22
Hazard class6.1(b)Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Storage class11 - Combustible Solids
Packing groupIII
Target organsRespiratory system
GHS hazard statementsH302-H315-H317-H319-H335
REACH registrationsActive
GHS precautionary statementsP261-P264-P280-P301+P312-P302+P352-P305+P351+P338

Applications & Uses

Uses

Employed in palladium-catalyzed mono- and bis-arylation of 3,4-(ethylenedioxy)thiophenes. Also used in a cross-coupling study with potassium vinyltrifluoroborate.

Uses

4-Bromobenzaldehyde is widely utilized as an intermediate for the preparation of agrochemicals, pharmaceuticals and other organic compounds. It is used as a precursor and reacts with sulfamethoxazole to prepare Schiffs base, 4-[(4-Bromo-benzylidene)-amino]-N-(5-methyl-isoxazol-3-yl)-benzene sulfonamide, which can be used for the photo stability of polyvinyl chloride (PVC). It plays an important role in palladium-catalyzed mono- and bis-arylation of 3,4-(ethylenedioxy)thiophenes. It is employed in a cross-coupling study with potassium vinyltrifluoroborate.

Preparation & Synthesis

Preparation

4-Bromobenzaldehyde is prepared by 2-Iodoxy-5-Methylbenzenesulfonic Acid-Catalyzed Selective Oxidation of 4-Bromobenzyl Alcohol.