Sec-butyl carbanilate
Basic information
- CAS
33013-98-8- Standard SMILES
CCC(C)OC(=O)Nc1ccccc1- InChIKey
IAZMIVQLMAXXLT-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- Sec-butyl carbanilate
- IUPAC
- butan-2-yl N-phenylcarbamate
- English name
- sec-Butyl carbanilate
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
sec-butyl carbanilateRefChem:884763653-970-8sec.-Butyl N-phenyl carbamate33013-98-8butan-2-yl N-phenylcarbamateNSC90129s-butyl phenylcarbamateSCHEMBL7750550SCHEMBL10639437IAZMIVQLMAXXLT-UHFFFAOYSA-NDTXSID401377042
Show more names
Carbamic acid, N-phenyl-, 1-methylpropyl ester
NSC-90129NSC145779AKOS024333939Carbamic acid, phenyl, 2-butyl esterNSC-145779
Database identifiers
- CAS
33013-98-8- PubChem CID
- 259745
- DTXSID
DTXSID401377042- EC Number
- 653-970-8
- Nikkaji
- J1.219.675J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 64 · 64-65 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 241 · 241.0±9.0 °C(Predicted)
- Density
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- pka
- 13.86 · 13.86±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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