2,3-Dichloroisobutyric Acid
Basic information
- CAS
10411-52-6- Standard SMILES
CC(Cl)(CCl)C(=O)O- InChIKey
LRGIIZXVSULULZ-UHFFFAOYSA-N- Molecular formula
- C4H6Cl2O2
- Average molar mass
- 156.99 g/mol
- Monoisotopic mass
- 155.9744848
Names & identifiers
- Preferred name
- 2,3-Dichloroisobutyric Acid
- IUPAC
- 2,3-dichloro-2-methylpropanoic acid
- English name
- 2,3-DICHLOROISOBUTYRIC ACID
- Molecular formula
- C4H6Cl2O2
- Molecular weight
- 157
Names & synonyms
2,3-DICHLOROISOBUTYRIC ACIDRefChem:442061678-386-010411-52-62,3-Dichloro-2-methylpropanoic acid2,3-DICHLOROISOBUTYRICACID2,3-DichloroisobutyratePropanoic acid, 2,3-dichloro-2-methyl-Propionic acid, 2,3-dichloro-2-methyl-MFCD00068279NSC 85847NCIOpen2_001138
Show more names
ALPHA,BETA-DICHLOROISOBUTYRIC ACID2,3-Dichloro-2-methylpropionic acidalpha,beta-2,3-Dichloroisobutyricacid2,3-DICHLOROISOBUTYRIC ACID (ALPHA,BETA-)
2,3-Dichloro-iso-butyric acidSCHEMBL3226980NSC85847NSC-85847Propanoic acid,3-dichloro-2-methyl-Propionic acid,3-dichloro-2-methyl-SBB0609982,3-dichloro-2-methyl-propanoic acid
Database identifiers
- CAS
10411-52-6- PubChem CID
- 25246
- EC Number
- 678-386-0
- Nikkaji
- J149.958K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Melting point
- 23 · 23-24 °C
- Boiling point
- 113 °C · 113 °C / 15mmHg
- Density
- 1 · 1,36 g/cm3
- refractive index
- 1.47 · 1.47
- Flash point
- 18 °C · 18°C
- form
- powder to lump to clear liquid
- pka
- 2.29 · 2.29±0.14(Predicted)
- color
- White or Colorless to Almost white or Almost colorless
- CAS DataBase Reference
- 10411 · 10411-52-6
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 227 · H227-H290-H314
- Precautionary statements
- 210 · P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesMet. Corr. 1 (100%)
Safety data
- ridadr
- 3265
- hs_code
- 2915.90.5010
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H227-H290-H314
- Precautionary statements
- P210-P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P403+P235-P405-P406-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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