o-Isopropylbenzyl chloride
Basic information
- CAS
20034-71-3- Standard SMILES
CC(C)c1ccccc1CCl- InChIKey
ABJGYUSFOIMJPT-UHFFFAOYSA-N- Molecular formula
- C10H13Cl
- Average molar mass
- 168.66 g/mol
- Monoisotopic mass
- 168.0705781
Names & identifiers
- Preferred name
- o-Isopropylbenzyl chloride
- IUPAC
- 1-(chloromethyl)-2-propan-2-ylbenzene
- English name
- o-(chloromethyl)cumene
- Molecular formula
- C10H13Cl
- Molecular weight
- 168.66
Names & synonyms
20034-71-3Benzene, 1-(chloromethyl)-2-(1-methylethyl)-1-(CHLOROMETHYL)-2-ISOPROPYLBENZENE1-(Chloromethyl)-2-(propan-2-yl)benzeneo-(Chloromethyl)cumeneo-Isopropylbenzyl chlorideEINECS 243-475-1QP3AC43VX3DTXSID30665501-(CHLOROMETHYL)-2-(1-METHYLETHYL)BENZENE(O-CHLOROMETHYL)ISOPROPYLBENZENERefChem:855278
Show more names
2-Isopropylbenzyl chloride
DTXCID9036191243-475-11-(chloromethyl)-2-propan-2-ylbenzeneChlormethylisopropylbenzolUNII-QP3AC43VX3SCHEMBL893214SCHEMBL8796138SCHEMBL11846167
Database identifiers
- CAS
20034-71-3- PubChem CID
- 88340
- DTXSID
DTXSID3066550- UNII
- QP3AC43VX3
- EC Number
- 243-475-1
- Nikkaji
- J280.427A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 93 · 93-94 °C(Press: 12 Torr)
- Density
- 1.008 · 1.008±0.06 g/cm3(Predicted)
- FDA UNII
- 3 AC43VX3 · QP3AC43VX3
- EPA Substance Registry System
- 1 · Benzene, 1-(chloromethyl)-2-(1-methylethyl)- (20034-71-3)
- 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 InformationBenzene, 1-(chloromethyl)-2-(1-methylethyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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