CAS 1331742-86-9 7-Bromo-2,1,3-benzothiadiazole-4-carbonitrile

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

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Catalog Number

ACM1331742869

Product Name

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

CAS

1331742-86-9

Category

Small Molecule Semiconductor Building Blocks

Synonyms

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

IUPAC Name

4-bromo-2,1,3-benzothiadiazole-7-carbonitrile

Molecular Weight

240.08

Molecular Formula

C7H2BrN3S

Canonical SMILES

C1=C(C2=NSN=C2C(=C1)Br)C#N

InChI

InChI=1S/C7H2BrN3S/c8-5-2-1-4(3-9)6-7(5)11-12-10-6/h1-2H

InChI Key

ORLZWSSVSNUQAZ-UHFFFAOYSA-N

Melting Point

260 °C

Purity

>96.0%(GC)

Appearance

White to Light yellow to Light orange powder to crystal

Complexity

226

Covalently-Bonded Unit Count

Exact Mass

238.91528g/mol

Formal Charge

Hazard Statements

H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD28966927

Monoisotopic Mass

238.91528g/mol

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ 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.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.

Rotatable Bond Count

Signal Word

Warning

XLogP3

2.2

MSDS

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COA

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Spec Sheet

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