4-Nitrobenzyl bromide

Product Name: 4-Nitrobenzyl bromide
CAS No.: 100-11-8
Chemical Name: 4-Nitrobenzyl bromide
Synonyms: 1-(BROMOMETHYL)-4-NITROBENZENE;PARA NITRO BENZYL BROMIDE;P-NITROBENZYL BROMIDE;4NBB;Nitrobenzyl bromide;4-Nitrobenzyl;AKOS BBS-00004545;Nitrobenzyl broMid;p-Nitobenzylbromide;Nitro broMine benzyl
CBNumber: CB5485712
Molecular Formula: C7H6BrNO2
Formula Weight: 216.03
MOL File: 100-11-8.mol

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4-Nitrobenzyl bromide Property

Melting point:: 98 °C
Boiling point:: 265.51°C (rough estimate)
Density: 1.6841 (rough estimate)
refractive index: 1.6120 (estimate)
storage temp.: Store at RT.
solubility: soluble in Chloroform, Ethyl Acetate
form: Crystalline Powder
color: Light yellow to beige
Water Solubility: It hydrolyzes in water. Soluble in alcohol and ether.
BRN: 742796
Stability:: Stable. Incomaptible with bases, amines, oxidizing agents, alcohols. May be moisture sensitive. Corrodes steel.
InChI: InChI=1S/C7H6BrNO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChIKey: VOLRSQPSJGXRNJ-UHFFFAOYSA-N
SMILES: C1(CBr)=CC=C([N+]([O-])=O)C=C1
CAS DataBase Reference: 100-11-8(CAS DataBase Reference)
NIST Chemistry Reference: Benzene, 1-(bromomethyl)-4-nitro-(100-11-8)
EPA Substance Registry System: Benzene, 1-(bromomethyl)-4-nitro- (100-11-8)

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Safety

Hazard Codes: C,Xi
Risk Statements: 34
Safety Statements: 26-36/37/39-45
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
RTECS: XS7967000
F: 10-19-21
Hazard Note: Irritant/Corrosive
TSCA: Yes
HazardClass: 8
PackingGroup: II
HS Code: 29049085

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

H335May cause respiratory irritation

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: N13054
Product name: 4-Nitrobenzyl bromide
Purity: 99%
Packaging: 25g
Price: $49.1
Updated: 2025/07/31

Sigma-Aldrich

Product number: N13054
Product name: 4-Nitrobenzyl bromide
Purity: 99%
Packaging: 100g
Price: $68.7
Updated: 2025/07/31

TCI Chemical

Product number: N0181
Product name: 4-Nitrobenzyl Bromide
Purity: >98.0%(GC)(T)
Packaging: 25g
Price: $29
Updated: 2025/07/31

TCI Chemical

Product number: N0181
Product name: 4-Nitrobenzyl Bromide
Purity: >98.0%(GC)(T)
Packaging: 100g
Price: $89
Updated: 2025/07/31

TCI Chemical

Product number: N0181
Product name: 4-Nitrobenzyl Bromide
Purity: >98.0%(GC)(T)
Packaging: 500g
Price: $301
Updated: 2025/07/31

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4-Nitrobenzyl bromide Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystal powde

Uses

4-Nitrobenzyl bromide is used in the synthesis of di and tri-substituted azoles. It is also used in the preparation of N6-Benzyladenosine-5?-uronamides as selective A3 adenosine agonists.

Definition

ChEBI: A C-nitro compound that consists of nitrobenzene bearing a bromomethyl substituent at the para-position.

Purification Methods

Recrystallise the bromide four times from absolute EtOH, then twice from cyclohexane/hexane/*benzene (1:1:1), followed by sublimation at 0.1mm and final recrystallisation from the same solvent mixture. [Lichtin & Rao J Am Chem Soc 83 2417 1961.] It has also been crystallised from pet ether (b 80-100o, 10mL/g, charcoal). It slowly decomposes even when stored in a desiccator in the dark. IRRITANT. [Beilstein 5 IV 861.]

4-Nitrobenzyl bromide Preparation Products And Raw materials

Raw materials

4-Nitrotoluene

Preparation Products

DIETHYL(4-NITROBENZYL)PHOSPHONATE FLUCYCLOXURON 4-(Morpholinomethyl)aniline

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