Completing data — refresh the page later to see the latest
Basic information
- CAS
869-50-1- Standard SMILES
CC(=O)OCC(CCl)OC(C)=O- InChIKey
GTFUGSXMTMYKRG-UHFFFAOYSA-N- Molecular formula
- C7H11ClO4
- Average molar mass
- 194.61 g/mol
- Monoisotopic mass
- 194.0345865
Names & identifiers
- Preferred name
- 1,2-Diacetoxy-3-chloropropane
- IUPAC
- (2-acetyloxy-3-chloropropyl) acetate
- English name
- 3-Chloro-1,2-diacetoxypropane
- Molecular formula
- C7H11ClO4
- Molecular weight
- 194.61
Names & synonyms
1,2-Diacetoxy-3-chloropropane3-Chloro-1,2-diacetoxypropane1-Chloro-2,3-diacetoxypropanealpha-Chlorohydrin diacetateChlorodeoxyglycerol diacetate1,2-Propanediol, 3-chloro-, 1,2-diacetate1-Chloro-2,3-propanediol diacetate1,2-Propanediol, 3-chloro-, diacetateAcetic acid, 3-chloropropylene ester1-Chloromethyl-1,2-ethanediol diacetateUNII-M3N2W05GUP1,2-Ethanediol, 1-chloromethyl-, diacetate
Show more names
3-Chloropropane-1,2-diyl diacetate
M3N2W05GUPNSC 13880NSC 44718.alpha.-Chlorohydrin diacetateBRN 0879152AI3-32152NSC-13880NSC-44718
Database identifiers
- CAS
869-50-1- PubChem CID
- 95020
- DTXSID
DTXSID601272894- ChEMBL
CHEMBL3276499- UNII
- M3N2W05GUP
- Nikkaji
- J50.782B
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 279.11 °C · 279.11°C (rough estimate)
- Density
- 1.199 · 1.1990
- refractive index
- 1.4407 · 1.4407 (estimate)
- FDA UNII
- 3 N2W05GUP · M3N2W05GUP
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州盖科科技有限公司0371-63336364 17344886665 · [email protected]
Zhengzhou Gecko Scientific Inc.13938510057 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
河南沁朋科技有限公司微信：18839185240; 15737400781 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
Loading…