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7-Bromo-2,1,3-benzothiadiazole-4-carboxaldehyde

Catalog Number
ACM1071224344
CAS Number
1071224-34-4
Product Name
7-Bromo-2,1,3-benzothiadiazole-4-carboxaldehyde
Category
Small Molecule Semiconductor Building Blocks
Synonyms
7-Bromo-4-formyl-2,1,3-benzothiadiazole
IUPAC Name
4-bromo-2,1,3-benzothiadiazole-7-carbaldehyde
Molecular Weight
243.08
Molecular Formula
C7H3BrN2OS
Canonical SMILES
C1=C(C2=NSN=C2C(=C1)Br)C=O
InChI
InChI=1S/C7H3BrN2OS/c8-5-2-1-4(3-11)6-7(5)10-12-9-6/h1-3H
InChI Key
VPDPNJVAWKCZEH-UHFFFAOYSA-N
Melting Point
195 °C
Purity
>98.0%(GC)
Density
Air Sensitive
Appearance
White to Yellow to Orange powder to crystal
Storage
Store under inert gas
Complexity
192
Covalently-Bonded Unit Count
1
Exact Mass
241.91495g/mol
Formal Charge
0
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
12
MDL Number
MFCD23704428
Monoisotopic Mass
241.91495g/mol
Precautionary Statements
P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
Rotatable Bond Count
1
Signal Word
Warning
XLogP3
1.9
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