1-Chlorodocosane

HCID 545602CAS 42217-03-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCl
InChIKey
OACXFSZVCDOBKF-UHFFFAOYSA-N
Molecular formula
C22H45Cl
Average molar mass
345 g/mol
Monoisotopic mass
344.32097912

Names & identifiers

Preferred name
1-Chlorodocosane
IUPAC
1-chlorodocosane
English name
1-Chlorodocosane
Molecular formula
C22H45Cl
Molecular weight
345.05

Names & synonyms

1-ChlorodocosaneBehenyl chlorideDocosane, 1-chloro-EINECS 255-710-5DTXSID20195043RefChem:75445DTXCID30117534255-710-5OACXFSZVCDOBKF-UHFFFAOYSA-N42217-03-8Docosyl ChlorideMFCD00039383
Show more names
1-Chlorodocosane >1-CHLORODOCOSANE 96+%
chlorodocosane1-chloro-docosaneC22H45Cln-Docosyl ChlorideR9C54WF7BESCHEMBL4063990SCHEMBL7866732SBB061097

Database identifiers

CAS
42217-03-8
PubChem CID
545602
DTXSID
DTXSID20195043
UNII
R9C54WF7BE
EC Number
255-710-5
Nikkaji
J97.523K

Properties

Computed structural properties

XLogP
12.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
20
Heavy atoms
23

Physicochemical properties

Melting point
41 °C · 41 °C
Boiling point
436.35 °C · 436.35°C (rough estimate)
Density
0.8886 · 0.8886 (rough estimate)
refractive index
1.4625 · 1.4625 (estimate)
solubility
soluble in Benzene
form
powder to crystal

Safety & regulation

Safety data

hs_code
2903.19.6010

Chemistry & industry

Applications

Uses1-Chlorodocosane chain is detected in leaf waxes of three halophytes of the Chenopodiaceae common to Mediterranean salt marshes.

Suppliers29 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
江苏星科元信息科技有限公司400-605-7200 15335295587

Related reactions

2 records
New reaction record

Linked notes

Loading…