Basic information
- CAS
16537-16-9- Standard SMILES
CC(C)(C)OC(=O)c1ccccc1Cl- InChIKey
NCFFMZYBEYTOBF-UHFFFAOYSA-N- Molecular formula
- C11H13ClO2
- Average molar mass
- 212.67 g/mol
- Monoisotopic mass
- 212.0604073
Names & identifiers
- Preferred name
- Tert-butyl 2-chlorobenzoate
- IUPAC
- tert-butyl 2-chlorobenzoate
- English name
- tert-Butyl 2-chlorobenzoate
- Molecular formula
- C11H13ClO2
- Molecular weight
- 212.67
Names & synonyms
tert-butyl 2-chlorobenzoate16537-16-92-chloro-benzoic acid tert-butyl esterBenzoic acid, 2-chloro-, 1,1-dimethylethyl esterSCHEMBL11474155SCHEMBL27806654DTXSID00510674AKOS013211427Tert-Butyl 2-chroobenzoate1,1-Dimethylethyl 2-chlorobenzoate
Database identifiers
- CAS
16537-16-9- PubChem CID
- 12820331
- DTXSID
DTXSID00510674- Nikkaji
- J2.328.784F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 68 °C · 68 °C(Press: 0.1 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- 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
Suppliers5 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
句容偶联生物科技有限公司19231718652 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-19891622721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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