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Details

Stereochemistry ACHIRAL
Molecular Formula C2H2BrN
Molecular Weight 119.948
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BROMOACETONITRILE

SMILES

BrCC#N

InChI

InChIKey=REXUYBKPWIPONM-UHFFFAOYSA-N
InChI=1S/C2H2BrN/c3-1-2-4/h1H2

HIDE SMILES / InChI
Molecular Formula C2H2BrN
Molecular Weight 119.948
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Haloacetonitriles vs. regulated haloacetic acids: are nitrogen-containing DBPs more toxic?
2007 Jan 15
An efficient synthesis of gamma-amino acids and attempts to drive its enantioselectivity.
2008 Mar 27
Dimethyl 1-cyano-methyl-1H-pyrazole-3,5-dicarboxyl-ate.
2009 Jun 20
1-Cyano-meth-yl-1,4-diazo-niabicyclo-[2.2.2]octane tetra-bromidocuprate(II).
2010 Jun 23
1-Cyano-methyl-4-aza-1-azonia-bicyclo-[2.2.2]octane bromide dihydrate.
2010 Jun 5
1-Cyano-methyl-1,4-diazo-niabicyclo-[2.2.2]octane tetra-bromidocadmate(II).
2010 Nov 27
Patents

Patents

04473575
27
05240946
1
05260317
2
05486534
4
05489586
2
05646165
1
05770605
7
05939558
1
05962695
1
06001836
1
06066666
3
06090927
1
06166028
8
06191275
1
06218385
29
06258854
4
06306859
1
06335350
9
06642318
3
06713645
3
06838463
4
06900353
1
06933295
2
06951848
4
07019024
3
07067534
14
07186749
1
07199106
1
07435728
3
07452906
1
07517879
1
07601711
3
07786108
2
07790747
8
07812036
3
07820704
2
07872022
1
07893042
1
07932281
2
07968540
2
07977371
1
08106221
2
08148387
1
08148391
9
08158662
5
08329904
5
08334286
1
08399493
1
08436043
9
08461348
6
08487108
8
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:46:19 GMT 2023
Edited
by admin
on Fri Dec 15 17:46:19 GMT 2023
Record UNII
07K08J16VK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BROMOACETONITRILE
Systematic Name English
BROMOMETHYL CYANIDE
Systematic Name English
CYANOMETHYL BROMIDE
Systematic Name English
ACETONITRILE, 2-BROMO-
Systematic Name English
ACETONITRILE, BROMO-
Systematic Name English
2-BROMOACETONITRILE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2021496
Created by admin on Fri Dec 15 17:46:19 GMT 2023 , Edited by admin on Fri Dec 15 17:46:19 GMT 2023
PRIMARY
HSDB
8050
Created by admin on Fri Dec 15 17:46:19 GMT 2023 , Edited by admin on Fri Dec 15 17:46:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-672-1
Created by admin on Fri Dec 15 17:46:19 GMT 2023 , Edited by admin on Fri Dec 15 17:46:19 GMT 2023
PRIMARY
CAS
590-17-0
Created by admin on Fri Dec 15 17:46:19 GMT 2023 , Edited by admin on Fri Dec 15 17:46:19 GMT 2023
PRIMARY
FDA UNII
07K08J16VK
Created by admin on Fri Dec 15 17:46:19 GMT 2023 , Edited by admin on Fri Dec 15 17:46:19 GMT 2023
PRIMARY
PUBCHEM
11534
Created by admin on Fri Dec 15 17:46:19 GMT 2023 , Edited by admin on Fri Dec 15 17:46:19 GMT 2023
PRIMARY
NIH
NCATS
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