Basic information
- CAS
76-36-8- Standard SMILES
CC(Cl)C(Cl)(Cl)C=O- InChIKey
OXVISHZELPRKFQ-UHFFFAOYSA-N- Molecular formula
- C4H5Cl3O
- Average molar mass
- 175.44 g/mol
- Monoisotopic mass
- 173.940598
Names & identifiers
- Preferred name
- 2,2,3-Trichlorobutanal
- IUPAC
- 2,2,3-trichlorobutanal
- English name
- 2,2,3-trichlorobutyraldehyde
- Molecular formula
- C4H5Cl3O
- Molecular weight
- 175.44
Names & synonyms
2,2,3-TrichlorobutanalButylchloralButyrchloralCrotonchloral76-36-8Butyraldehyde, 2,2,3-trichloro-4LSJ4988IBalpha,alpha,beta-Trichloro-n-butyraldehydeNSC-1132DTXSID50871545RefChem:1058978DTXCID30819208
Show more names
Anhydr butylchlorala,a,b-Trichloro-n-butyraldehydeα,α,β-Trichloro-n-butylaldehyde
Anhydrous butylchloralButanal, 2,2,3-trichloro-2,2,3-Trichlorobutyraldehyde.alpha.,.alpha.,.beta.-Trichloro-n-butyraldehydealpha,alpha,beta-TrichlorobutyraldehydeNSC 1132EINECS 200-953-4BRN 1749046
Database identifiers
- CAS
76-36-8- PubChem CID
- 64686
- DTXSID
DTXSID50871545- UNII
- 4LSJ4988IB
- EC Number
- 200-953-4
- Nikkaji
- J2.404J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 91.3
Physicochemical properties
- Melting point
- 25 °C · <25 °C
- Boiling point
- 760 · bp760 164.5-165.5°; bp25 57-60°
- Density
- 420 · d420 1.3956
- refractive index
- 20 · nD20 1.47554
- Dielectric constant
- 10 · 10.0
- FDA UNII
- 4 LSJ4988IB · 4LSJ4988IB
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…