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Merck
CN

73170

Sigma-Aldrich

4-Nitrobenzyl bromide

purum, ≥97.0% (HPLC)

Synonym(s):

α-Bromo-4-nitrotoluene

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About This Item

Linear Formula:
O2NC6H4CH2Br
CAS Number:
100-11-8
Molecular Weight:
216.03
Beilstein:
742796
EC Number:
202-820-6
MDL number:
MFCD00007373
UNSPSC Code:
12352100
PubChem Substance ID:
329764676

Key Documents

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grade

purum

Assay

≥97.0% (HPLC)

mp

96-99 °C (lit.)
96-99 °C

SMILES string

[O-][N+](=O)c1ccc(CBr)cc1

InChI

1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2

InChI key

VOLRSQPSJGXRNJ-UHFFFAOYSA-N

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Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H314,H335

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

>212.0 °F

Flash Point(C)

> 100 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Allergic contact dermatitis from para-nitrobenzyl bromide.
R Thompson et al.
Contact dermatitis, 38(4), 232-232 (1998-06-20)
Qing-Yuan Chen et al.
Di 1 jun yi da xue xue bao = Academic journal of the first medical college of PLA, 23(3), 273-276 (2003-03-26)
To synthesize p, p'-divinylazobenzene (DVAB). Wittig reagent was initially synthesized using P-nitrobenzyl bromide and triphenylphosphine, followed by reaction with formaldehyde to produce p-nitro styrene, which was then deoxidized by Zn/NaOH for the final product of DVAB. Fourier transform infrared spectroscopy
S Giorgini et al.
Italian general review of dermatology, 15(2), 107-112 (1978-05-01)
A case of occupational contact dermatitis in a female chemical pharmaceutical laboratory researcher is described. The allergological investigation revealed a state of sensitization to three mono-nitrobenzenes with halogen substitutions in the nucleus or a side chain. Problems related to sensitization

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