Tribromoacetonitrile

CAT: 0804-HY-133644Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-133644Size:2.5 mg

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Description

Tribromoacetonitrile is a nitrogen-containing disinfection byproduct[1].

CAS Number

75519-19-6

UNSPSC

12352211

Hazard Statement

H302, H315, H332, H360, H410

Target

Drug Derivative

Type

Reference compound

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/tribromoacetonitrile.html

Solubility

10 mM in DMSO

Smiles

N#CC(Br)(Br)Br

Molecular Formula

C2Br3N

Molecular Weight

277.74

Precautions

H302, H315, H332, H360, H410

References & Citations

[1]Xiaoya Liu, et al. Research status in quo of disinfection by-products formation from algal organic matter as precursors. Disinfection By-products in Drinking Water Detection and Treatment. 2020, Pages 137-168.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Tribromoacetonitrile

Tribromoacetonitrile is a liquid. (NTP, 1992)

CAS Number	75519-19-6
PubChem CID	3852893
IUPAC Name	2,2,2-tribromoacetonitrile
Molecular Formula	C2Br3N
Molecular Weight	277.74
XLogP	2.3
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	82

SMILES

C(#N)C(Br)(Br)Br

InChI

InChI=1S/C2Br3N/c3-2(4,5)1-6

InChIKey

WDNIHYDTZZOFLR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 75519-19-6

CID: 3852893

Formula: C2Br3N

MW: 277.74

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	277.74
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	276.75604
Monoisotopic Mass	274.75809
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	82.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
290283-01	Tribromoacetonitrile

Tribromoacetonitrile

Chemical Information

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