2-Bromo-3'-chloroacetophenone

HCID 38738
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Basic information

CAS
41011-01-2
Standard SMILES
O=C(CBr)c1cccc(Cl)c1
InChIKey
KJVRURZDIOVSSQ-UHFFFAOYSA-N
Molecular formula
C8H6BrClO
Average molar mass
233.49 g/mol
Monoisotopic mass
231.92905459

Names & identifiers

Preferred name
2-Bromo-3'-chloroacetophenone
IUPAC
2-bromo-1-(3-chlorophenyl)ethanone
English name
3-Chlorophenacyl bromide
Molecular formula
C8H6BrClO
Molecular weight
233.49

Names & synonyms

41011-01-22-Bromo-1-(3-chlorophenyl)ethanone3-Chlorophenacyl bromide2-BROMO-3'-CHLOROACETOPHENONE2-bromo-1-(3-chlorophenyl)-1-ethanonem-Chlorophenacyl bromideEthanone, 2-bromo-1-(3-chlorophenyl)-HSDB 2679UNII-N62718DTBSACETOPHENONE, 2-BROMO-3'-CHLORO-DTXSID101940002-BROMO-M-CHLOROACETOPHENONE
Show more names
2-BROMO-1-(3-CHLOROPHENYL)ETHAN-1-ONEBUTTPARK 41\03-60Tuloterol Impurity 9.CHLOROPHENACYL BROMIDETulobuterol Impurity 9Cenobamate Impurity 24Tulobuterol Impurity 25
M-CHLOROPHENACYL BROMIDE [HSDB]mChlorophenacyl bromideRefChem:85650alphaBromo3chloroacetophenone2Bromo1(3chlorophenyl)ethanoneDTXCID80116491Ethanone, 2bromo1(3chlorophenyl)609-883-2

Database identifiers

CAS
41011-01-2
PubChem CID
38738
DTXSID
DTXSID10194000
UNII
N62718DTBS
EC Number
609-883-2
Nikkaji
J1.494.806F

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
Color/FormNEEDLES
SolubilitySOL IN ALCOHOL
Melting Point39.5-40 °C
Physical DescriptionSolid; [HSDB]

Physicochemical properties

Melting point
39 °C · 39 °C
Boiling point
122 · 122-124℃
Density
1.598 · 1.598±0.06 g/cm3(Predicted)
Flash point
110 °C · 110 °C
storage temp.
2 · 2-8°C
form
Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryAn irritant; A lachrymator; May cause skin sensitization; [MSDSonline] See alpha-Chloroacetophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (95.3%)

Toxicology

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN 3335
hs_code
2914790090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

UsesNot commercially produced in the US; [HSDB]
U.S. Exports · 2 items

(1977) No Data

(1979) No Data

U.S. Imports · 2 items

(1977) No Data

(1979) No Data

U.S. Production · 2 items

(1977) NOT PRODUCED COMMERCIALLY IN US

(1979) NOT PRODUCED COMMERCIALLY IN US

Applications

Uses2-Bromo-3'-chloroacetophenone acts as a Substrate used in a one-step preparation of symmetrical 1,4-diketones in the presence of Zn-I2.

Upstream & downstream products

Downstream products

Suppliers100 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Related reactions

37 records
New reaction record

Compound notes

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