 Home > Encyclopedia > 4-Bromobenzaldehyde

4-Bromobenzaldehyde

4-Bromobenzaldehyde structure

CAS No:
1122-91-4
Formula:
C7H5BrO
Chemical Name:
4-Bromobenzaldehyde
Synonyms:
Benzaldehyde,4-bromo-;Benzaldehyde,p-bromo-;4-Bromobenzaldehyde;p-Bromobenzaldehyde;4-Formylbromobenzene;1-Bromo-4-formylbenzene;NSC 21638;4-Formylphenyl bromide;4-Formyl-1-bromobenzene;p-Formylbromobenzene;4-Bromobenzenealdehyde;2222571-84-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

white crystalline solid

4-Bromobenzaldehyde is part of a group of benzaldehydes that have in vivo antibacterial activity against Mycobacterium tuburculosis. 4-Bromobenzaldehyde is also used as a reagent in the synthesis of 4-Bromobenzaldehyde semicarbazone, a trial compound of a novel class of anticonvulsants.

4-Bromobenzaldehyde Basic Attributes

Molecular Weight：

185.02

Exact Mass：

185.02

EC Number：

214-365-0

UNII：

4L8VM24F65

NSC Number：

21638

DSSTox ID：

DTXSID5061534

HScode：

2913000090

Characteristics

PSA：

17.1

XLogP3：

2.2

Appearance：

white to cream crystals

Density：

1.2926 g/cm³ @ Temp: 30 °C

Melting Point：

67 °C

Boiling Point：

105-110 °C @ Press: 12 Torr

Flash Point：

228 °F

Refractive Index：

1.5727 (estimate)

Water Solubility：

INSOLUBLE

Storage Conditions：

Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. Store protected from light.

Vapor Pressure：

0.0249mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

R22

safety instructions：

26-36/37-36/37/39-22

RTECS Number：

CU4810000

Marks：

Xn,Xi

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280-P301 + P312 + P330-P304 + P340 + P312-P305 + P351 + P338-P333 + P313-P337 + P313

Hazard Statements：

H302-H315-H317-H319-H335

RIDADR：

2811

GHS Classification：

|Danger|H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P340, P304+P341, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P342+P311, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 64 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - mouse	1230 mg/kg	Details of toxic effects not reported other than lethal dose value--	Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 44(12),19,1979
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	389 mg/kg	Details of toxic effects not reported other than lethal dose value--	Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 44(12),19,1979

4-Bromobenzaldehyde Use and Manufacturing

Manufacturing Info：

Benzaldehyde, 4-bromo-: ACTIVE

Computed Properties

Molecular Weight:185.02
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:183.95238
Monoisotopic Mass:183.95238
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:95.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

110929-20-9

Material

Calcium carbonate

Recommended Suppliers of 4-Bromobenzaldehyde

shanghai jinghui industrial co.ltd Contact Supplier

CN
4 YRS

Business licensed

Trader Supplier of Fluorine containing fine chemicals Pharmaceutical

4-Bromobenzaldehyde 99% white power JINGHUI

CAS No.: 1122-91-4

Content: 99%

Inquiry
Shaanxi Dideu Medichem Co. Ltd Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of Chemical Pesticides,Food Additives,Agrochemicals,Active Pharm Ingredients,Flavors and Fragrances,Chemical Catalyst,Chemical Materials,Chem&Pharm Intermediates,Organic Intermediates,Feed Additive

4-Bromobenzaldehyde 99% Solid Dideu

CAS No.: 1122-91-4

Grade: Industrial Grade

Content: 99%

Inquiry
Changzhou Xuanming Pharmaceutical Techno Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Peptides,Chemicals,API,Additives

4-Bromobenzaldehyde Crystalline Solid

CAS No.: 1122-91-4

Grade: Industrial Grade

Content: 99%

Inquiry
MSC Chemical Co.,Ltd Contact Supplier

CN
2 YRS

Business licensed

Trader Supplier of chemical

High quality 4-Bromobenzaldehyde CAS 1122-91-4 C7H5BrO with low price

CAS No.: 1122-91-4

Grade: Industrial Grade

Content: 99%

Inquiry
NANTONG REFORM PETRO-CHEMICAL CO.,LTD Contact Supplier

CN
4 YRS

Business licensed Certified factory

Manufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals

4-Bromobenzaldehyde

CAS No.: 1122-91-4

Grade: Industrial Grade

Content: 99%

Inquiry