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1,3,2-Dioxathiolane, 4-(chloromethyl)-, 2-oxide

HCID 85804
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
15121-11-6
Standard SMILES
O=S1OCC(CCl)O1
InChIKey
RGDJXHLNJJZNGO-UHFFFAOYSA-N
Molecular formula
C3H5ClO3S
Average molar mass
156.59 g/mol
Monoisotopic mass
155.9647929

Names & identifiers

Preferred name
1,3,2-Dioxathiolane, 4-(chloromethyl)-, 2-oxide
IUPAC
4-(chloromethyl)-1,3,2-dioxathiolane 2-oxide
English name
4-(chloromethyl)-1,3,2-dioxathiolane 2-oxide
Molecular formula
C3H5ClO3S
Molecular weight
156.588

Names & synonyms

4-(Chloromethyl)-1,3,2-dioxathiolane 2-oxide1,3,2-Dioxathiolane, 4-(chloromethyl)-, 2-oxideEINECS 239-175-53-Chloro-1,2-propanediol cyclic sulfite (ester)AI3-275891,2-Ethanediol, 1-chloromethyl-, cyclic sulfiteDTXSID608847871,2-Propanediol, 3-chloro-, cyclic sulfite (ester)RefChem:72202DTXCID901024210239-175-515121-11-6
Show more names
SCHEMBL9743522RGDJXHLNJJZNGO-UHFFFAOYSA-NAKOS0063823684-chloromethyl-1,3,2-dioxathiolane2-oxideNS000513804-(Chloromethyl)-1,3,2lambda~4~-dioxathiolan-2-one

Database identifiers

CAS
15121-11-6
PubChem CID
85804
DTXSID
DTXSID60884787
EC Number
239-175-5
Nikkaji
J43.000E

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
54.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
8
Formal charge
0
Complexity
107

Physicochemical properties

Boiling point
167.5 °C · 167.5°C
Density
1.414 · 1.414 (estimate)
CAS DataBase Reference
15121 · 15121-11-6
EWG's Food Scores
1 · 1
EPA Substance Registry System
1 · 1,3,2-Dioxathiolane, 4-(chloromethyl)-, 2-oxide (15121-11-6)
TSCA
TSCA listed

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

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3,2-Dioxathiolane, 4-(chloromethyl)-, 2-oxide: INACTIVE

Suppliers8 total

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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