2-Bromo-4-nitrotoluene

CAS
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Purity
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CAS
7745-93-9
Size
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Purity
98%
Price
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Availability
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Catalog Number

ACM7745939

Product Name

2-Bromo-4-nitrotoluene

Structure

Structure

CAS

7745-93-9

Category

Bromine Series

Synonyms

2-Bromo-4-nitrotoluene, B74402_ALDRICH, Toluene, 2-bromo-4-nitro-, 1-Bromo-2-methyl-5-nitrobenzene, 2-Bromo-1-methyl-4-nitrobenzene, Benzene, 2-bromo-1-methyl-4-nitro-, EINECS 231-809-9, NSC402166, SBB007843, ZINC01081254, FR-0441, TL80073548, AE-641/04636041, 7745-93-9

IUPAC Name

2-bromo-1-methyl-4-nitrobenzene

Molecular Weight

216.03

Molecular Formula

C₇H₆NO₂Br

Canonical SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])Br

InChI Key

XFZFJQHXWJIBQV-UHFFFAOYSA-N

Boiling Point

280.4ºC at 760 mmHg

Melting Point

75-78ºC

Flash Point

123.4ºC

Density

1.615 g/cm³

Appearance

faint yellow to yellow powder.

EC Number

231-809-9

Exact Mass

214.95800

Hazard Statements

Xn:Harmful;

H-Bond Acceptor

2

H-Bond Donor

0

Packing Group

I; II; III

Safety Description

S22-S26-S36/37/39

Stability

Stable under normal temperatures and pressures.

WGK Germany

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2-Bromo-4-nitrotoluene?

The molecular formula is C7H6BrNO2.

What is the molecular weight of 2-Bromo-4-nitrotoluene?

The molecular weight is 216.03 g/mol.

What is the IUPAC name of 2-Bromo-4-nitrotoluene?

The IUPAC name is 2-bromo-1-methyl-4-nitrobenzene.

What is the InChI of 2-Bromo-4-nitrotoluene?

The InChI is InChI=1S/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3.

What is the InChIKey of 2-Bromo-4-nitrotoluene?

The InChIKey is XFZFJQHXWJIBQV-UHFFFAOYSA-N.

What is the CAS number of 2-Bromo-4-nitrotoluene?

The CAS number is 7745-93-9.

What is the EC number of 2-Bromo-4-nitrotoluene?

The EC number is 231-809-9.

What is the DSSTox Substance ID of 2-Bromo-4-nitrotoluene?

The DSSTox Substance ID is DTXSID20228163.

What is the XLogP3 value of 2-Bromo-4-nitrotoluene?

The XLogP3 value is 3.2.

Is 2-Bromo-4-nitrotoluene a canonicalized compound?

Yes, 2-Bromo-4-nitrotoluene is canonicalized.

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