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68385-95-5

68385-95-5 Structure

68385-95-5 Structure
IdentificationMore
[Name]

2-AMINO-3,5-DIBROMOBENZONITRILE
[CAS]

68385-95-5
[Synonyms]

2-AMINO-3,5-DIBROMOBENZONITRILE
3,5-DIBROMOANTHRANILONITRILE
BUTTPARK 37\12-53
2-Amino-3,5-Dibromobenzonitrile 3,5-Dibromo-2-Aminobenzonitrile
3,5-Dibromo-2-Aminobenzonitrile
[Molecular Formula]

C7H4Br2N2
[MDL Number]

MFCD00179571
[Molecular Weight]

275.93
[MOL File]

68385-95-5.mol
Chemical PropertiesBack Directory
[Appearance]

pinkish-brown or reddish-brown powder
[Melting point ]

152-156 °C (lit.)
[Boiling point ]

301.2±42.0 °C(Predicted)
[density ]

1.9911 (rough estimate)
[refractive index ]

1.6300 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Solid
[pka]

-0.95±0.10(Predicted)
[InChI]

InChI=1S/C7H4Br2N2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
[InChIKey]

WLZCMGXAEXFAQA-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC(Br)=CC(Br)=C1N
[CAS DataBase Reference]

68385-95-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2926907090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

pinkish-brown or reddish-brown powder
[References]

[1] European Journal of Organic Chemistry, 2010, # 34, p. 6588 - 6599
[2] Tetrahedron, 2016, vol. 72, # 35, p. 5323 - 5330
[3] Archiv der Pharmazie, 2018, vol. 351, # 9,
[4] Journal of the Chemical Society, Perkin Transactions 2, 2001, # 5, p. 738 - 744
[5] Synthesis (Germany), 2014, vol. 46, # 12, p. 1613 - 1620
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-3,5-DIBROMOBENZONITRILE(68385-95-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

68385-95-5(sigmaaldrich)
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