3-Chloro-2,2-bis(chloromethyl)propanoic acid
Basic information
- CAS
17831-70-8- Standard SMILES
O=C(O)C(CCl)(CCl)CCl- InChIKey
RDRNKIGGASXJAX-UHFFFAOYSA-N- Molecular formula
- C5H7Cl3O2
- Average molar mass
- 205.46 g/mol
- Monoisotopic mass
- 203.951163
Names & identifiers
- Preferred name
- 3-Chloro-2,2-bis(chloromethyl)propanoic acid
- IUPAC
- 3-chloro-2,2-bis(chloromethyl)propanoic acid
- English name
- 3-Chloro-2,2-dichloromethyl propionic acid
- Molecular formula
- C5H7Cl3O2
- Molecular weight
- 205.47
Names & synonyms
3-Chloro-2,2-bis(chloromethyl)propanoic acid17831-70-8Propanoic acid, 3-chloro-2,2-bis(chloromethyl)-MFCD000216853-CHLORO-2,2-DICHLOROMETHYL PROPIONIC ACID3-Chloro-22-bis(chloromethyl)propanoic acidNSC893023-Chloro-2,2-bis(chloromethyl)propionic acidSCHEMBL9139060DTXSID50293405RDRNKIGGASXJAX-UHFFFAOYSA-NNSC-89302
Show more names
TRIS(CHLOROMETHYL)ACETIC ACID3-Chloro-2,2-bis(chloromethyl)3-chloro-2,2-bis(chloromethyl)propionic acid-1
AKOS015994503CS-W021894SS-3556SY1087553-Chloro-2,2-dichloromethylpropionic acidDB-0052883-Chloro-2,2-bis(chloromethyl)propanoicacidF215653
Database identifiers
- CAS
17831-70-8- PubChem CID
- 259382
- DTXSID
DTXSID50293405- Nikkaji
- J1.412.187K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 40 · 40-42 °C
- Boiling point
- 126 · 126-129 °C(Press: 30 Torr)
- Density
- 1.468 · 1.468±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.5 · 2.50±0.15(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HS Code
- 2915907098 · 2915907098
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
- hs_code
- 2915907098
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses3-Chloro-2,2-bis(chloromethyl)propanoic Acid is a reagent used in the preparation of novel azide plasticizers.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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