2-Bromo-1-indanone (HCID 137203)

Names & identifiers

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

Names & synonyms

2-Bromo-1-indanone1775-27-5RefChem:85626627-652-4UXVCSPSWUNMPMT-UHFFFAOYSA-N2-Bromoindan-1-one2-Bromoindanone2-bromo-2,3-dihydroinden-1-one2-bromo-2,3-dihydro-1H-inden-1-one1H-Inden-1-one, 2-bromo-2,3-dihydro-MFCD000410301175-27-5

Show more names

6-Bromindan-1-on2-Bromo-1-indanone 90%2-Bromo-1-indanone ,85%2-BROMO-1-INDANONE: TECH.2-Bromo-1-indanone ,tech.2-Bromoindanone, tech., 90%2-BroMo-1-indanone, tech., 8

bromoindanone2-bromo indanone2-bromo-indan-1-one2-Bromo-1-indanone, 90%SCHEMBL296403SCHEMBL27490753SCHEMBL29752636DTXSID00938935

Database identifiers

CAS: 1775-27-5
PubChem CID: 137203
DTXSID: DTXSID00938935
EC Number: 627-652-4
Nikkaji: J954.256F

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 178

Physicochemical properties

Melting point: 33 · 33-38 °C (lit.)
Boiling point: 110 · 110-112 °C/0.4 mmHg (lit.)
Density: 1.427 · 1.4270 (rough estimate)
refractive index: 1.572 · 1.5720 (estimate)
Flash point: 110 · 110-112°C/0.4mm
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Off-white to light yellow Solid
BRN: 637789 · 637789
InChI: 1S/C9H7BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
InChIKey: UXVCSPSWUNMPMT-UHFFFAOYSA-N
SMILES: BrC1Cc2ccccc2C1=O
CAS DataBase Reference: 1775 · 1775-27-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H319-H335-H314
Precautionary statements: 261 · P261-P280a-P304+P340-P405-P501a-P280-P305+P351+P338-P310
PPE: 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard Codes: C
Risk Statements: 36 · 36/37/38-34
Safety Statements: 24 · 24/25-36/37/39-27-26
RIDADR: 1759 · UN 1759
WGK Germany: 3 · 3
HS Code: 29147000 · 29147000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (90.7%): 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 43 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (90.7%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk: 3
ridadr: UN 1759
hs_code: 29147000
risk_code: 36/37/38-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 24/25-36/37/39-27-26
Storage Class: 8A - Combustible corrosive hazardous materials
Hazard statements: H315-H319-H335-H314
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P261-P280a-P304+P340-P405-P501a-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 2 items

Uses2-Bromo-1-indanone may be used in the preparation of trans-2-benzal-1-indanone epoxide via Darzens-type condensation with benzaldehyde. It may also be employed as substrate to investigate the substrate specificity of recombinant β-keto ester reductase (KER) of Penicillium citrinum.

General Description2-Bromo-1-indanone is a halogenated indanone. It can be obtained via bromination of 1-indanone.