Basic information
- CAS
21048-16-8- Standard SMILES
ClCC1COCCO1- InChIKey
SFABQWISNPPOOB-UHFFFAOYSA-N- Molecular formula
- C5H9ClO2
- Average molar mass
- 136.58 g/mol
- Monoisotopic mass
- 136.0291072
Overview
See also: 2-(Chloromethyl)-1,4-dioxane; 95% (annotation moved to).
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-1,4-dioxane
- IUPAC
- 2-(chloromethyl)-1,4-dioxane
- English name
- 1,4-Dioxane, 2-(chloromethyl)-
- Molecular formula
- C5H9ClO2
- Molecular weight
- 136.58
Names & synonyms
2-(chloromethyl)-1,4-dioxaneDTXSID70943354RefChem:460134DTXCID00137172321048-16-81,4-Dioxane, 2-(chloromethyl)-MFCD01994526chloromethyldioxaneSCHEMBL7129637ALBB-005877SBB046611AKOS000321196
Show more names
p-Dioxane,2-(chloroMethyl)-(8CI)2-(chloromethyl)-1,4-dioxane(SALTDATA: FREE)
AKOS016342135AB10617FS-6014NCGC00660508-01CS-0308903EN300-139167H23976F309505
Database identifiers
- CAS
21048-16-8- PubChem CID
- 89422
- DTXSID
DTXSID70943354- Nikkaji
- J1.609.117K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 67.4
Physicochemical properties
- Boiling point
- 40 °C · 40 °C(Press: 0.02 Torr)
- Density
- 1.21 g/cm3 · 1.2100 g/cm3
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- 1 · 1,4-Dioxane, 2-(chloromethyl)- (21048-16-8)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335-H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Hazard statements
- H314-H335-H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers3 total
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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