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About This Item
Linear Formula:
BrC6H4CONHNH2
CAS Number:
Molecular Weight:
215.05
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
assay
98%
mp
157-159 °C (lit.)
SMILES string
NNC(=O)c1cccc(Br)c1
InChI
1S/C7H7BrN2O/c8-6-3-1-2-5(4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChI key
BNAQRAZIPAHWAR-UHFFFAOYSA-N
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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He-Bing Li
Acta crystallographica. Section E, Structure reports online, 64(Pt 2), o465-o465 (2008-01-01)
The title mol-ecule, C(14)H(11)BrN(2)O(2), displays a trans configuration about the C=N and C-N bonds. The dihedral angle between the two benzene rings is 18.5 (3)°. An intra-molecular O-H⋯N hydrogen bond is observed. In the crystal structure, the mol-ecules are linked into
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