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English
4-Bromobutanenitrile
chemical compound
4-Bromobutyronitrile
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
146.968361292
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₄H₆BrN
0 references
canonical SMILES
C(CC#N)CBr
0 references
Identifiers
InChI
InChI=1S/C4H6BrN/c5-3-1-2-4-6/h1-3H2
0 references
InChIKey
CQPGDDAKTTWVDD-UHFFFAOYSA-N
0 references
CAS Registry Number
5332-06-9
1 reference
stated in
CAS Common Chemistry
retrieved
6 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=5332-06-9
InChIKey
CQPGDDAKTTWVDD-UHFFFAOYSA-N
PubChem CID
21412
0 references
UniChem compound ID
6848639
1 reference
stated in
UniChem
NMRShiftDB structure ID
20044926
1 reference
matched by identifier from
InChIKey
InChIKey
CQPGDDAKTTWVDD-UHFFFAOYSA-N
DSSTox substance ID
DTXSID5063786
0 references
DSSTOX compound identifier
DTXCID1041398
0 references
NSC number
3972
0 references
EC number
226-236-6
0 references
ECHA Substance Infocard ID
100.023.851
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.023.851
retrieved
29 December 2019
title
4-bromobutyronitrile
(English)
quotation
CAS no.: 5332-06-9
(English)
UNII
ZL4S2TPT2V
1 reference
matched by identifier from
InChIKey
InChIKey
CQPGDDAKTTWVDD-UHFFFAOYSA-N
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