Bis(2-chloro-1-methylethyl) ether

C₆H₁₂Cl₂OCAS 108-60-1171.06 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₆H₁₂Cl₂O
Molar mass: 171.06 g/mol
Exact mass: 170.0265 Da
Density: 1.103 g/mL (at 20 °C)
Melting point: −101.8–96.8 °C
Boiling point: 187 °C
Flash point: 85 °C (open cup)
Water solubility: < 100 mg/L (22.2 °C)
logP: 2.26Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Danger

H300 Fatal if swallowed59.5% of notifiers
H301 Toxic if swallowed29.7% of notifiers
H315 Causes skin irritation89.2% of notifiers
H319 Causes serious eye irritation89.2% of notifiers
H335 May cause respiratory irritation29.7% of notifiers

Aggregated from 37 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

108-60-1

SMILES

CC(CCl)OC(C)CCl

InChIKey

QCFYJCYNJLBDRT-UHFFFAOYSA-N

InChI

InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names

Propane, 2,2′-oxybis[1-chloro-
Ether, bis(2-chloro-1-methylethyl)
2,2′-Oxybis[1-chloropropane]
2,2′-Dichlorodiisopropyl ether
β,β′-Dichlorodiisopropyl ether
DCIP (nematocide)
DCIP
Bis(1-chloro-2-propyl) ether
NSC 2849
Nemamort
1-Chloro-2-[(1-chloropropan-2-yl)oxy]propane
1-Chloro-2-(1-chloropropan-2-yloxy)propane

Work with Bis(2-chloro-1-methylethyl) ether

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tris(2-chloroisopropyl) phosphate13674-84-550 % similar 2,6-Dimethylmorpholine141-91-343 % similar 2,6-Dimethylmorpholine, (2R,6R)-171753-74-543 % similar cis-2,6-Dimethylmorpholine6485-55-843 % similar Isobutyl chloride513-36-042 % similar 1,2-Dichloropropane78-87-538 % similar 1-Chloro-2-propanol127-00-436 % similar (R)-1-Chloro-2-propanol19141-39-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook