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381799

2-Bromo-3-nitrotoluene

Name: 2-Bromo-3-nitrotoluene
Brand: ALDRICH

99%

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About This Item

Linear Formula:

CH₃C₆H₃(NO₂)Br

CAS Number:

41085-43-2

Molecular Weight:

216.03

NACRES:

NA.22

PubChem Substance ID:

24863837

UNSPSC Code:

12352100

MDL number:

MFCD00134555

Assay:

99%

Form:

solid

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Properties

assay

99%

form

solid

bp

135-136 °C/8 mmHg (lit.)

mp

38-41 °C (lit.)

density

0.803 g/mL at 25 °C (lit.)

SMILES string

Cc1cccc(c1Br)[N+]([O-])=O

InChI

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

InChI key

GCAAVRIWNMTOKB-UHFFFAOYSA-N

Description

General description

Crystal structure of 2-bromo-3-nitrotoluene has been studied and the dihedral angle between the nitro group and the phenyl ring is reported to be 54.1(4)°.

Application

2-Bromo-3-nitrotoluene may be used in the preparation of unsymmetrical dimethyl dinitro biphenyl, via Ullmann reaction. It may be used as starting material in the synthesis of 10-methylfluoranthene.

pictograms

GHS07

signalword

Warning

hcodes

H302 + H312 + H332,H315,H319,H335

pcodes

P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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