2-Hydroxy-5-nitrobenzyl bromide

HCID 13044
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
772-33-8
Standard SMILES
O=[N+]([O-])c1ccc(O)c(CBr)c1
InChIKey
KFDPCYZHENQOBV-UHFFFAOYSA-N
Molecular formula
C7H6BrNO3
Average molar mass
232.03 g/mol
Monoisotopic mass
230.95310515

Overview

A chemical reagent that reacts with and modifies chemically the tryptophan portion of protein molecules. Used for 'active site' enzyme studies and other protein studies. Sometimes referred to as Koshland's reagent.

Names & identifiers

Preferred name
2-Hydroxy-5-nitrobenzyl bromide
IUPAC
2-(bromomethyl)-4-nitrophenol
English name
2-Hydroxy-5-nitrobenzyl bromide
Molecular formula
C7H6BrNO3
Molecular weight
232.03

Names & synonyms

772-33-82-HYDROXY-5-NITROBENZYL BROMIDEalpha-Bromo-4-nitro-o-cresolPhenol, 2-(bromomethyl)-4-nitro-Koshland Reagent IKoshland's Reagent IDS4XZE4Z7To-Cresol, alpha-bromo-4-nitro-NSC-89704KOSHLAND REAGENT 1DTXSID9061124Koshland Reagent
Show more names
KOSHLAND IKOSHLAND'S REAGENTKoshland's reagent 1α-bromo-4-nitro-o-cresoα-bromo-4-nitro-o-cresola-Bromo-4-nitro-o-cresol2-BROMOMETHYL-4-NITROPHENOL
Koshlands ReagentReagent, KoshlandReagent, KoshlandsKoshlands Reagent IReagent I, Koshland'sRefChem:87448DTXCID50479562 Hydroxy 5 nitrobenzyl Bromide

Database identifiers

CAS
772-33-8
PubChem CID
13044
DTXSID
DTXSID9061124
UNII
DS4XZE4Z7T
EC Number
212-248-9
Nikkaji
J6.973F

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
66.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
144 · 144-149 °C(lit.)
Boiling point
383 · 383.0±32.0 °C(Predicted)
Density
1.795 · 1.795
refractive index
1.609 · 1.6090 (estimate)
storage temp.
2 · 2-8°C
solubility
25 mg/mL, · chloroform: soluble25mg/mL, clear, yellow

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29089990
risk_code
34

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)

Uses & manufacturing

General Manufacturing InformationPhenol, 2-(bromomethyl)-4-nitro-: INACTIVE
Applications · 4 items

UsesReagent for sulfhydryl modification.1

Uses2-Hydroxy-5-nitrobenzyl bromide is a chemical reagent that reacts with and modifies chemically the tryptophan portion of protein molecules..

Uses2-Hydroxy-5-nitrobenzyl bromide was used in covalent modification of tryptophan and tryptophan residues in monoclonal immunoglobulin. It was also used as reagent for sulfhydryl modification

General Description2-Hydroxy-5-nitrobenzyl bromide is a protein modifying reagent.

Upstream & downstream products

Suppliers56 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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