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5-Bromo-1-indanone

5-Bromo-1-indanone structure

CAS No:
34598-49-7
Formula:
C9H7BrO
Chemical Name:
5-Bromo-1-indanone
Synonyms:
1H-Inden-1-one,5-bromo-2,3-dihydro-;1-Indanone,5-bromo-;5-Bromo-2,3-dihydro-1H-inden-1-one;5-Bromoindanone;5-Bromo-1-indanone;5-Bromo-2,3-dihydroinden-1-one;5-Bromo-2,3-indan-1-one
Categories:
Chemical Reagents > Organic Reagents

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5-Bromo-1-indanone Basic Attributes

Molecular Weight：

211.06

Exact Mass：

211.06

EC Number：

629-357-6

DSSTox ID：

DTXSID40334432

HScode：

2914700090

Characteristics

PSA：

17.07000

XLogP3：

2.57800

Appearance：

light yellow to off-white powder

Density：

1.18 g/mL at 25 °C(lit.)

Melting Point：

126 °C @ Solvent: Heptane

Boiling Point：

303.7±31.0 °C(Predicted)

Flash Point：

120.2ºC

Refractive Index：

1.5720 (estimate)

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

20/21/22-36/37/38-22

safety instructions：

26-36-36/37/39

Marks：

Xn,Xi

GHS Classification：

|Warning|H302 (94.81%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 135 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromo-1-indanone Use and Manufacturing

Starter for indanone-based pharmaceuticals1,2

Computed Properties

Molecular Weight:211.05
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Exact Mass:209.96803
Monoisotopic Mass:209.96803
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:178
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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