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About This Item
Linear Formula:
H2NC6H3(Br)CO2H
CAS Number:
Molecular Weight:
216.03
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
32160406
UNSPSC Code:
12352106
EC Number:
227-338-3
MDL number:
Beilstein/REAXYS Number:
639028
Quality Level
assay
97%
form
powder
reaction suitability
reaction type: solution phase peptide synthesis
mp
213-215 °C (lit.)
application(s)
peptide synthesis
SMILES string
Nc1ccc(Br)cc1C(O)=O
InChI
1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChI key
CUKXRHLWPSBCTI-UHFFFAOYSA-N
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Regulatory Information
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Solubility plays a very important role in the selection of compounds for drug screening. In this context, a QSAR model was developed for predicting water solubility of drug-like compounds. First, a set of relevant parameters for establishing a drug-like chemical
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 260118-25G | 04061833320884 |
| 260118-5G | 04061826097151 |
