1-Indanone, 4-bromo-

HCID 98713
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
15115-60-3
Standard SMILES
O=C1CCc2c(Br)cccc21
InChIKey
UVVYFYLSZIMKMC-UHFFFAOYSA-N
Molecular formula
C9H7BrO
Average molar mass
211.05 g/mol
Monoisotopic mass
209.96802694

Names & identifiers

Preferred name
1-Indanone, 4-bromo-
IUPAC
4-bromo-2,3-dihydroinden-1-one
English name
4-Bromo-1-indanone
Molecular formula
C9H7BrO
Molecular weight
211.06

Names & synonyms

4-Bromo-1-indanone15115-60-31-Indanone, 4-bromo-4-Bromohydrindone-1NSC 162080BRN 2044194DTXSID301647203-07-00-01396 (Beilstein Handbook Reference)RefChem:230990DTXCID7087211628-019-54-BROMO-2,3-DIHYDRO-1H-INDEN-1-ONE
Show more names
SKL642OZAN-0014-bromoindanone4-bromo-1-indanon4-Bromo-1-Indenone4-Bromo-1-indanone,97%
4-bromo-2,3-dihydroinden-1-one4-Bromo-indan-1-one4-bromoindan-1-one1H-INDEN-1-ONE, 4-BROMO-2,3-DIHYDRO-MFCD017197724-bromo indanoneSCHEMBL163925F68K258XWL

Database identifiers

CAS
15115-60-3
PubChem CID
98713
DTXSID
DTXSID30164720
ChEMBL
CHEMBL1671941
UNII
F68K258XWL
EC Number
628-019-5
Nikkaji
J618.940G

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Physicochemical properties

Melting point
95 · 95-99 °C(lit.)
Boiling point
125 °C/1.5mmHg · 125°C/1.5mmHg(lit.)
Density
1.608 · 1.608±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
Crystalline Powder
color
Orange-brown

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90.9%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
rtecs
NK7536100
hs_code
29147000
risk_code
22
Signal word
Warning

Chemistry & industry

Applications · 2 items

Uses4-Bromo-1-indanone is used to prepare N''-indanyl-N-benzopyrazolyl ureas as TRPV1 antagonists for use as analgesics. It is also used to synthesize 1,4-dihydroindeno[1,2-c]pyrazoles as KDR kinase inhibitors.

General Description4-Bromo-1-indanone is an organic synthetic or pharmaceutical intermediate compound that can be used to prepare the prescription drug Ozanimod. Ozanimod can be used to treat relapsing multiple sclerosis (MS), including clinical solitary syndrome, relapsing-remitting disease and active secondary progressive disease. This drug cannot cure multiple sclerosis, but it can slow down some disabling effects and reduce the frequency of disease recurrence. It can also be used to treat moderate to severe ulcerative colitis.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

79 records
New reaction record

Compound notes

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