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English
2-chloroethyl isocyanate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
104.998141428
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃H₄ClNO
0 references
canonical SMILES
C(CCl)N=C=O
0 references
Identifiers
InChI
InChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2
0 references
InChIKey
BCMYXYHEMGPZJN-UHFFFAOYSA-N
0 references
CAS Registry Number
1943-83-5
1 reference
InChIKey
BCMYXYHEMGPZJN-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1943-83-5
PubChem CID
16035
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BCMYXYHEMGPZJN-UHFFFAOYSA-N
UniChem compound ID
18027418
1 reference
stated in
UniChem
ZVG number
510547
0 references
DSSTox substance ID
DTXSID2062080
1 reference
matched by identifier from
InChIKey
InChIKey
BCMYXYHEMGPZJN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID2036089
0 references
NSC number
87418
0 references
EC number
217-734-4
0 references
ECHA Substance Infocard ID
100.016.123
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.016.123
retrieved
29 December 2019
title
2-chloroethyl isocyanate
(English)
quotation
CAS no.: 1943-83-5
(English)
Human Metabolome Database ID
HMDB0245070
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BCMYXYHEMGPZJN-UHFFFAOYSA-N
UNII
KJ4TMD25MS
1 reference
matched by identifier from
InChIKey
InChIKey
BCMYXYHEMGPZJN-UHFFFAOYSA-N
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