p-nitrophenacyl bromide

Modify Date: 2026-07-06 22:14:59

p-nitrophenacyl bromide Structure
p-nitrophenacyl bromide structure
 Common Name p-nitrophenacyl bromide
CAS Number 99-81-0 Molecular Weight 244.042
Density 1.7±0.1 g/cm3 Boiling Point 325.2±17.0 °C at 760 mmHg
Molecular Formula C8H6BrNO3 Melting Point 94-99 °C(lit.)
MSDS Chinese USA Flash Point 150.5±20.9 °C
Symbol GHS05
GHS05		 Signal Word Danger

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2-Bromo-4'-nitroacetophenone
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.7±0.1 g/cm3
Boiling Point 325.2±17.0 °C at 760 mmHg
Melting Point 94-99 °C(lit.)
Molecular Formula C8H6BrNO3
Molecular Weight 244.042
Flash Point 150.5±20.9 °C
Exact Mass 242.953094
PSA 62.89000
LogP 1.95
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.609
InChIKey MBUPVGIGAMCMBT-UHFFFAOYSA-N
SMILES O=C(CBr)c1ccc([N+](=O)[O-])cc1

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H314
Precautionary Statements P280-P305 + P351 + P338-P310
Personal Protective Equipment Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes C:Corrosive;
Risk Phrases R34
Safety Phrases S26-S36/37/39-S45
RIDADR UN 3261 8/PG 2
WGK Germany 3
Packaging Group III
Hazard Class 8
HS Code 2914700090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2914700090
Summary HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

 Articles6

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

QSAR study and conformational analysis of 4-arylthiazolylhydrazones derived from 1-indanones with anti-Trypanosoma cruzi activity.

Eur. J. Pharm. Sci. 78 , 190-7, (2015)

A set of 4-arylthiazolylhydrazones derived from 1-indanones (TZHs) previously synthesized and assayed against Trypanosoma cruzi, the causative agent of Chagas disease, were explored in terms of confor...

Active site of bee venom phospholipase A2: the role of histidine-34, aspartate-64 and tyrosine-87.

Biochemistry 35(14) , 4591-601, (1996)

In bee venom phospholipase A2, histidine-34 probably functions as a Brønsted base to deprotonate the attacking water. Aspartate-64 and tyrosine-87 form a hydrogen bonding network with histidine-34. We...

Chemical modification and inactivation of rat liver microsomal cytochrome P-450c by 2-bromo-4'-nitroacetophenone.

J. Biol. Chem. 261(25) , 11478-86, (1986)

The alkylating agent 2-bromo-4'-nitroacetophenone (BrNAP) binds covalently to each of 10 isozymes of purified rat liver microsomal cytochrome P-450 (P-450a-P-450j) but substantially inhibits the catal...

 p-nitrophenacyl bromideBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Inhibition of Escherichia coli MurA assessed as residual activity at 100 uM using UNA...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4682075
Name: Inhibition of Staphylococcus aureus MurA expressed in Escherichia coli assessed as re...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4682074
Name: Ratio between dissociation constant and First-order rate constant (Ki / K inact) was ...
Source: ChEMBL
Target: Tyrosine-protein phosphatase non-receptor type 1
External Id: CHEMBL844569
Name: Inhibition of recombinant cathepsin B (unknown origin) endopeptidase activity express...
Source: ChEMBL
Target: Cathepsin B
External Id: CHEMBL4682077
Name: Inhibition of Escherichia coli MurA assessed as residual activity at 100 uM using UNA...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4682076
Name: Inhibition of recombinant cathepsin X (unknown origin) expressed in Pichia pastoris a...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4682079
Name: Inhibition of recombinant cathepsin B (unknown origin) exopeptidase activity expresse...
Source: ChEMBL
Target: Cathepsin B
External Id: CHEMBL4682078
Name: Inhibition of Staphylococcus aureus MurA expressed in Escherichia coli using UNAG and...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4682073
Name: Inhibition of glycogen synthase kinase-3 beta (unknown origin) using GS-1 as substrat...
Source: ChEMBL
Target: Glycogen synthase kinase-3 beta
External Id: CHEMBL3749462
Name: Inhibition of Escherichia coli MurA using UNAG and PEP as substrate preincubated for ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4682072
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

p-Nitro-α-bromoacetophenone
EINECS 202-789-9
2-Bromo-1-(4-nitrophenyl)ethanone
α-Bromo-4-nitroacetophenone
p-nitrophenacyl bromide
4'-Nitro-2-bromoacetophenone
α-Bromo-p-nitroacetophenone
2-Bromo-4'-nitroacentophenone
2-Bromo-1-(4-nitrophenyl)ethan-1-one
MFCD00007356

 p-nitrophenacyl bromide | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the LogP of 2-Bromo-4'-nitroacetophenone?
A: LogP of 2-Bromo-4'-nitroacetophenone is 1.95.
Q: What are the downstream products of 2-Bromo-4'-nitroacetophenone?
A: Related downstream products(CAS) of 2-Bromo-4'-nitroacetophenone: 108791-66-8;100-19-6;104755-32-0;110944-98-4;5425-81-0;3673-53-8;33102-81-7;4740-22-1;1439-43-6;142167-51-9.
Q: What is the safety information for 2-Bromo-4'-nitroacetophenone?
A: Safety information for 2-Bromo-4'-nitroacetophenone: S26-S36/37/39-S45.
Q: What is the melting point of 2-Bromo-4'-nitroacetophenone?
A: Melting point of 2-Bromo-4'-nitroacetophenone is 94-99 °C(lit.).
Q: What is the InChIKey of 2-Bromo-4'-nitroacetophenone?
A: InChIKey of 2-Bromo-4'-nitroacetophenone is MBUPVGIGAMCMBT-UHFFFAOYSA-N.
Q: What English synonyms does 2-Bromo-4'-nitroacetophenone have?
A: English synonyms of 2-Bromo-4'-nitroacetophenone: p-Nitro-α-bromoacetophenone, EINECS 202-789-9, 2-Bromo-1-(4-nitrophenyl)ethanone, α-Bromo-4-nitroacetophenone, p-nitrophenacyl bromide, 4'-Nitro-2-bromoacetophenone, α-Bromo-p-nitroacetophenone, 2-Bromo-4'-nitroacentophenone, 2-Bromo-1-(4-nitrophenyl)ethan-1-one, MFCD00007356.
Q: What is the boiling point of 2-Bromo-4'-nitroacetophenone?
A: Boiling point of 2-Bromo-4'-nitroacetophenone is 325.2±17.0 °C at 760 mmHg.
Q: What is the SMILES notation of 2-Bromo-4'-nitroacetophenone?
A: SMILES notation of 2-Bromo-4'-nitroacetophenone is O=C(CBr)c1ccc([N+](=O)[O-])cc1.
Q: What is the CAS number of 2-Bromo-4'-nitroacetophenone?
A: CAS number of 2-Bromo-4'-nitroacetophenone is 99-81-0.
Q: What are the upstream materials of 2-Bromo-4'-nitroacetophenone?
A: Related upstream materials(CAS) of 2-Bromo-4'-nitroacetophenone: 100-19-6;940-13-6;100-12-9;67-56-1;100-13-0;59938-04-4;586-78-7;838-57-3.

 p-nitrophenacyl bromidefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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