tert-butyl N-(3-chloro-2-methylphenyl)carbamate
Basic information
- CAS
129822-39-5- Standard SMILES
Cc1c(Cl)cccc1NC(=O)OC(C)(C)C- InChIKey
FUFRZWSIYKXLRV-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0869564
Names & identifiers
- Preferred name
- tert-butyl N-(3-chloro-2-methylphenyl)carbamate
- IUPAC
- tert-butyl N-(3-chloro-2-methylphenyl)carbamate
- English name
- tert-butyl 3-chloro-2-methylphenylcarbamate
- Molecular formula
- C12H16ClNO2
- Molecular weight
- 241.71
Names & synonyms
129822-39-5tert-butyl N-(3-chloro-2-methylphenyl)carbamatetert-butyl (3-chloro-2-methylphenyl)carbamatetert-Butyl 3-Chloro-2-methylphenylcarbamateCarbamic acid, N-(3-chloro-2-methylphenyl)-, 1,1-dimethylethyl ester(tert-butoxy)-N-(3-chloro-2-methylphenyl)carboxamideCarbamic acid, (3-chloro-2-methylphenyl)-, 1,1-dimethylethyl esterSCHEMBL476879DTXSID80406849FUFRZWSIYKXLRV-UHFFFAOYSA-NMFCD07127715SBB051735
Show more names
STL065431AKOS0005012971-(Boc-amino)-3-chloro-2-methylbenzeneST094413TS-00725CS-0212916tert-butyl(3-chloro-2-methylphenyl)carbamateAN-329/43386031
Database identifiers
- CAS
129822-39-5- PubChem CID
- 4935482
- DTXSID
DTXSID80406849- Nikkaji
- J1.080.926F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 277.2 · 277.2±33.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 13.2 · 13.20±0.70(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
Upstream & downstream products
Downstream products
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Related reactions
2 records
Compound notes
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