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About This Item
Empirical Formula (Hill Notation):
C6H6BrNO
CAS Number:
Molecular Weight:
188.02
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
3236448
Assay:
≥94%
Form:
crystals
InChI
1S/C6H6BrNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
SMILES string
Nc1cc(Br)ccc1O
InChI key
JHRIPENGTGSNPJ-UHFFFAOYSA-N
assay
≥94%
form
crystals
mp
130-135 °C
functional group
bromo
storage temp.
2-8°C
Quality Level
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Related Categories
Application
Reactant for:
- Preparation of (aryl)oxadiazolobenzoxazinones via Suzuki-Miyaura reaction
- Copper-catalyzed oxidative amination of benzoxazoles and related azoles via C-H and C-N bond activation
- Synthesis of N-(alkoxyphenyl)-aminocarbonylbenzoic acid derivatives as protein tyrosine phophatase 1B inhibitors
- Preparation of lipophilic deoxy-xylulose-phosphate reductoisomerase inhibitors
- Synthesis of benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase
signalword
Danger
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
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