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6-(4-BROMOPHENYL)-1,2-DIHYDRO-4-METHYL-2-OXOPYRIDINE-3-CARBONITRILE

6-(4-BROMOPHENYL)-1,2-DIHYDRO-4-METHYL-2-OXOPYRIDINE-3-CARBONITRILE structure

CAS No:
109273-56-5
Formula:
C13H9BrN2O
Chemical Name:
6-(4-BROMOPHENYL)-1,2-DIHYDRO-4-METHYL-2-OXOPYRIDINE-3-CARBONITRILE
Synonyms:
6-(4-BROMOPHENYL)-1,2-DIHYDRO-4-METHYL-2-OXOPYRIDINE-3-CARBONITRILE;SALOR-INT L232793-1EA;6-(4-BROMOPHENYL)-4-METHYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBONITRILE;6-(4-BROMOPHENYL)-4-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE

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6-(4-BROMOPHENYL)-1,2-DIHYDRO-4-METHYL-2-OXOPYRIDINE-3-CARBONITRILE Basic Attributes

Molecular Weight：

289.13

Exact Mass：

287.99

DSSTox ID：

DTXSID80405352

HScode：

2933399090

Characteristics

PSA：

52.9

XLogP3：

2.4

Density：

1.57±0.1 g/cm3(Predicted)

Melting Point：

298 °C

Boiling Point：

471.4±45.0 °C(Predicted)

Safety Information

Precautionary statement(s)：

P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:289.13
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:287.98983
Monoisotopic Mass:287.98983
Topological Polar Surface Area:52.9
Heavy Atom Count:17
Complexity:447
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-(4-BROMOPHENYL)-1,2-DIHYDRO-4-METHYL-2-OXOPYRIDINE-3-CARBONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

6-(4-BROMOPHENYL)-1,2-DIHYDRO-4-METHYL-2-OXOPYRIDINE-3-CARBONITRILE

SDS

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