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Structure

1-Bromo-2,4-dimethoxybenzene

CAS
17715-69-4
Catalog Number
ACM17715694
Category
Bromine Series
Molecular Weight
217.06
Molecular Formula
C8H9BrO2

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Specification

Synonyms
2,4-Dimethoxyphenyl bromide
IUPAC Name
1-bromo-2,4-dimethoxybenzene
Canonical SMILES
COC1=CC(=C(C=C1)Br)OC
InChI
InChI=1S/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
InChI Key
NIUZVSQOXJIHBL-UHFFFAOYSA-N
Boiling Point
153-155 ºC 18 mmHg (lit.)
Melting Point
25-26 ºC (lit.)
Flash Point
109ºC
Density
1.507 g/ml
Appearance
Clear very faint yellow liquid. Benzene-like odor.
EC Number
241-717-0
Exact Mass
215.97900
Hazard Statements
H315-H319-H335
H-Bond Acceptor
2
H-Bond Donor
0
RIDADR
NONH for all modes of transport
Safety Description
S26-S37/39
Stability
Stable at room temperature in closed containers under normal storage and handling conditions.
Symbol
GHS07
WGK Germany
3
What is the molecular formula of 1-Bromo-2,4-dimethoxybenzene?

The molecular formula of 1-Bromo-2,4-dimethoxybenzene is C8H9BrO2.

What is the molecular weight of 1-Bromo-2,4-dimethoxybenzene?

The molecular weight of 1-Bromo-2,4-dimethoxybenzene is 217.06 g/mol.

What is the IUPAC name of 1-Bromo-2,4-dimethoxybenzene?

The IUPAC name of 1-Bromo-2,4-dimethoxybenzene is 1-bromo-2,4-dimethoxybenzene.

What is the InChI of 1-Bromo-2,4-dimethoxybenzene?

The InChI of 1-Bromo-2,4-dimethoxybenzene is InChI=1S/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3.

What is the InChIKey of 1-Bromo-2,4-dimethoxybenzene?

The InChIKey of 1-Bromo-2,4-dimethoxybenzene is NIUZVSQOXJIHBL-UHFFFAOYSA-N.

What is the canonical SMILES representation of 1-Bromo-2,4-dimethoxybenzene?

The canonical SMILES representation of 1-Bromo-2,4-dimethoxybenzene is COC1=CC(=C(C=C1)Br)OC.

What is the CAS number of 1-Bromo-2,4-dimethoxybenzene?

The CAS number of 1-Bromo-2,4-dimethoxybenzene is 17715-69-4.

How many hydrogen bond acceptors are there in 1-Bromo-2,4-dimethoxybenzene?

There are 2 hydrogen bond acceptors in 1-Bromo-2,4-dimethoxybenzene.

Is 1-Bromo-2,4-dimethoxybenzene a canonicalized compound?

Yes, 1-Bromo-2,4-dimethoxybenzene is a canonicalized compound.

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