3-Bromo-4-methoxybenzaldehyde

HCID 98662
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Basic information

CAS
34841-06-0
Standard SMILES
COc1ccc(C=O)cc1Br
InChIKey
QMPNFQLVIGPNEI-UHFFFAOYSA-N
Molecular formula
C8H7BrO2
Average molar mass
215.04 g/mol
Monoisotopic mass
213.96294156

Overview

3-bromo-4-methoxybenzaldehyde is a carbonyl compound.

Names & identifiers

Preferred name
3-Bromo-4-methoxybenzaldehyde
IUPAC
3-bromo-4-methoxybenzaldehyde
English name
3-Bromo-4-methoxybenzaldehyde
Molecular formula
C8H7BrO2
Molecular weight
215.04

Names & synonyms

3-Bromo-4-methoxybenzaldehyde34841-06-03-Bromo-p-anisaldehyde6RGS4ZD7JBEINECS 252-241-8NSC-158162DTXSID00188392NSC 158162RefChem:93173DTXCID30110883252-241-8QMPNFQLVIGPNEI-UHFFFAOYSA-N
Show more names
AKOS B004285ASISCHEM N43045AKOS BBS-00003260TIMTEC-BB SBB006750OTAVA-BB BB01251601843-Bromo-p-anisaldehyde >3-BROMO-4-METHOXYBENZALDEHYDE
Benzaldehyde, 3-bromo-4-methoxy-MFCD000165993-bromo-4-methoxy-benzaldehydep-Anisaldehyde, 3-bromo-4-methoxy-3-bromobenzaldehyde3-Bromo-4-methoxybenzaldehyde; 3-Bromo-p-anisaldehyde; NSC 1581623-bromoanisaldehyde5-bromoanisaldehyde

Database identifiers

CAS
34841-06-0
PubChem CID
98662
DTXSID
DTXSID00188392
ChEBI
CHEBI:210858
UNII
6RGS4ZD7JB
EC Number
252-241-8
Nikkaji
J267.275H

Properties

Computed structural properties

XLogP
2
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
51 · 51-54 °C (lit.)
Boiling point
108 · 108-110°C 1mm
Density
1.5313 · 1.5313 (rough estimate)
refractive index
1.55 · 1.5500 (estimate)
Flash point
108 · 108-110°C/1mm
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29130000
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses3-Bromo-4-methoxybenzaldehyde may be used in the following studies:Asymmetric synthesis of a novel β-hydroxy-α-amino acid derivative, via Mukaiyama aldol reaction. Synthesis of 2-(3-bromo-4-methoxyphenyl)-5-fluorobenzothiazole. Preparation of 5-[(Z)-2-(3-bromo-4-methoxyphenyl)vinyl]-1,2-3-trimethoxybenzene. Total synthesis of engelhardione. Starting reagent for the synthesis of (2E)-3-(3-bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one.

General Description3-Bromo-4-methoxybenzaldehyde is formed by the solvent-free bromination of 4-methoxybenzaldehyde using 1,3-di-n-butylimidazolium tribromide, as a brominating reagent.

Upstream & downstream products

Suppliers100 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

Related reactions

86 records
New reaction record

Compound notes

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