Basic information
- CAS
13142-49-9- Standard SMILES
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccn1- InChIKey
AYESWZOXRIYADI-UHFFFAOYSA-N- Molecular formula
- C12H9Cl2N3O
- Average molar mass
- 282.12 g/mol
- Monoisotopic mass
- 281.0122673
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-3-(2-pyridyl)urea
- IUPAC
- 1-(3,4-dichlorophenyl)-3-pyridin-2-ylurea
- English name
- 1-(3,4-Dichlorophenyl)-3-(2-pyridyl)urea
- Molecular formula
- C12H9Cl2N3O
- Molecular weight
- 282.13
Names & synonyms
13142-49-91-(3,4-dichlorophenyl)-3-(2-pyridyl)ureaRefChem:422782668-505-41-(3,4-Dichloro-phenyl)-3-pyridin-2-yl-ureaMLS0012111971-(3,4-dichlorophenyl)-3-pyridin-2-ylureaSMR0005150621-(3,4-Dichlorophenyl)-3-(pyridin-2-yl)ureaOprea1_213206Oprea1_428944Oprea1_723479
Show more names
Urea, N-(3,4-dichlorophenyl)-N'-2-pyridinyl-N-(3,4-DICHLOROPHENYL)-N'-(2-PYRIDINYL)CARBAMIMIDIC ACIDN-(3,4-DICHLOROPHENYL)-N'-(2-PYRIDINYL)CARBAMIMIDIC ACID
CHEMBL311070cid_786649SCHEMBL8020408BDBM69881HMS2873I11STK325554AKOS000633198ST000310
Database identifiers
- CAS
13142-49-9- PubChem CID
- 786649
- ChEMBL
CHEMBL311070- EC Number
- 668-505-4
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 335.2 · 335.2±37.0 °C(Predicted)
- Density
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- pka
- 12.31 · 12.31±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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, 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
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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