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About This Item
Empirical Formula (Hill Notation):
C6H6BrNO
CAS Number:
Molecular Weight:
188.02
Beilstein:
2802564
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Assay
≥96.5% (GCF)
97%
shelf life
expiry date on the label
SMILES string
Nc1ccc(O)c(Br)c1
InChI
1S/C6H6BrNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
InChI key
CBQJZWGBFZAUEV-UHFFFAOYSA-N
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Certificates of Analysis (COA)
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Matthew B Prendergast et al.
Physical chemistry chemical physics : PCCP, 18(6), 4320-4332 (2015-10-29)
Gas-phase product detection studies of o-hydroxyphenyl radical and O2 are reported at 373, 500, and 600 K, at 4 Torr (533.3 Pa), using VUV time-resolved synchrotron photoionisation mass spectrometry. The dominant products are assigned as o-benzoquinone (C6H4O2, m/z 108) and
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