Basic information
- CAS
82744-86-3- Standard SMILES
CC(C)N(C(=O)Nc1cccc(Cl)c1)C(C)C- InChIKey
DCLJPFHSPJTWOC-UHFFFAOYSA-N- Molecular formula
- C13H19ClN2O
- Average molar mass
- 254.75 g/mol
- Monoisotopic mass
- 254.1185909
Names & identifiers
- Preferred name
- 3-(3-Chlorophenyl)-1,1-diisopropylurea
- IUPAC
- 3-(3-chlorophenyl)-1,1-di(propan-2-yl)urea
- English name
- 3-(3-chlorophenyl)-1,1-di(propan-2-yl)urea
- Molecular formula
- C13H19ClN2O
- Molecular weight
- 254.76
Names & synonyms
3-(3-Chlorophenyl)-1,1-diisopropylurea82744-86-3RefChem:491904665-706-9N'-(3-CHLOROPHENYL)-N,N-DIISOPROPYLUREA3-(3-chlorophenyl)-1,1-di(propan-2-yl)ureaCambridge id 5266524CBDivE_013423STK416210AKOS0029563693-(3-chlorophenyl)-1,1-dipropan-2-ylureaST50549166
Show more names
Urea, N'-(3-chlorophenyl)-N,N-bis(1-methylethyl)-
N'-(3-chlorophenyl)-N,N-di(propan-2-yl)ureaAB00077994-01SR-01000202264SR-01000202264-1[(3-chlorophenyl)amino]-N,N-bis(methylethyl)carboxamide
Database identifiers
- CAS
82744-86-3- PubChem CID
- 764705
- EC Number
- 665-706-9
- Nikkaji
- J418.104B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 391.2 · 391.2±34.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 14.24 · 14.24±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
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, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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