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1,1'-Oxybis[2-chloroethanol]

HCID 95345
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
7737-02-2
Standard SMILES
OC(CCl)OC(O)CCl
InChIKey
ZSHRTYLLCDMOML-UHFFFAOYSA-N
Molecular formula
C4H8Cl2O3
Average molar mass
175.01 g/mol
Monoisotopic mass
173.9850495

Names & identifiers

Preferred name
1,1'-Oxybis[2-chloroethanol]
IUPAC
2-chloro-1-(2-chloro-1-hydroxyethoxy)ethanol
English name
1,1'-oxybis[2-chloroethanol]
Molecular formula
C4H8Cl2O3
Molecular weight
175.01

Names & synonyms

1,1'-Oxybis(2-chloroethanol)7737-02-2Ethanol, 1,1'-oxybis(2-chloro-NSC 2905EINECS 231-795-4Ethanol, 1,1'-oxybis[2-chloro-1,1'-OXYBIS[2-CHLOROETHANOL]RefChem:70803231-795-41,1'-Oxybis(2-chloroethan-1-ol)NSC29052-CHLORO-1-(2-CHLORO-1-HYDROXYETHOXY)ETHANOL
Show more names
Ethanol, 1,1-oxybis(2-chloro-
DTXSID90998583ZSHRTYLLCDMOML-UHFFFAOYSA-NNSC-2905NS00045198

Database identifiers

CAS
7737-02-2
PubChem CID
95345
DTXSID
DTXSID90998583
EC Number
231-795-4
Nikkaji
J326.538B

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
9
Formal charge
0
Complexity
62.8

Physicochemical properties

Boiling point
168.8 · 168.8±35.0 °C(Predicted)
Density
1.465 · 1.465±0.06 g/cm3(Predicted)
pka
11.3 · 11.30±0.20(Predicted)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: Ethanol, 1,1'-oxybis[2-chloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Chemistry & industry

Upstream & downstream products

Downstream products

Crotonaldehyde, 2,4-dichloro-, (Z)- (8CI)

Suppliers1 total

湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes