HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

1-(5-Bromo-2-chlorophenyl)ethan-1-one

HCID 13628145
New noteNew reactionRequest quotes
Print preview
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
105884-19-3
Standard SMILES
CC(=O)c1cc(Br)ccc1Cl
InChIKey
FVJMYXDLWAEIKP-UHFFFAOYSA-N
Molecular formula
C8H6BrClO
Average molar mass
233.49 g/mol
Monoisotopic mass
231.92906

Names & identifiers

Preferred name
1-(5-Bromo-2-chlorophenyl)ethan-1-one
IUPAC
1-(5-bromo-2-chlorophenyl)ethanone
English name
5-Bromo-2-Chloroacetophenone
Molecular formula
C8H6BrClO
Molecular weight
233.49

Names & synonyms

105884-19-31-(5-Bromo-2-chlorophenyl)ethan-1-oneDTXSID60545386RefChem:225666DTXCID90496170877-130-71-(5-Bromo-2-chlorophenyl)ethanone5'-Bromo-2'-chloroacetophenone5-Bromo-2-ChloroacetophenoneMFCD02683851Ethanone, 1-(5-bromo-2-chlorophenyl)-SCHEMBL1396978
Show more names
-Bromo-2’-chloroacetophenone1-(5-Bromo-2-chlorophenyl)5'-Bromo-2'-chloroacetophenone 99%5′-Bromo-2′-chloroacetophenone, CAS 105884-19-3
FVJMYXDLWAEIKP-UHFFFAOYSA-N1-(5-bromo-2-chloro-phenyl)ethanoneAKOS015908164FB64513PS-48421-(5-Bromo-2-chloro-phenyl)-ethanoneDA-48073SY058986

Database identifiers

CAS
105884-19-3
PubChem CID
13628145
DTXSID
DTXSID60545386
EC Number
877-130-7

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
160

Physicochemical properties

Boiling point
260 ℃ · 260℃
Density
1.566 · 1.566
Flash point
111 ℃ · 111℃
storage temp.
Sealed in dry,Room Temperature
form
fused solid
color
Faint yellow
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302+H312+H332-H319-H335
Precautionary statements
271 · P271-P261-P280
HS Code
2914790090 · 2914790090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code
2914790090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302+H312+H332-H319-H335
Precautionary statements
P271-P261-P280

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1-(5-bromo-2-chlorophenyl)ethanolDichloromethanePyridinium chlorochromateCelite

Related reactions

13 records
New reaction record
HRID 140010 reaction equation
HRID 140010As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 245270 reaction equation
HRID 245270As reactantuspto-grants-2014_02
HRID 506446 reaction equation
HRID 506446As reactantuspto-grants-2010_08
HRID 813248 reaction equation
HRID 813248As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 858784 reaction equation
HRID 858784As reactantuspto-grants-2006_12
HRID 858785 reaction equation
HRID 858785As productuspto-grants-2006_12
HRID 1453238 reaction equation
HRID 1453238As reactantuspto-grants-2009_01
HRID 1453239 reaction equation
HRID 1453239As productuspto-grants-2009_01
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes