Basic information
- CAS
13208-59-8- Standard SMILES
O=C(Nc1ccc(Cl)cc1)Nc1cccnc1- InChIKey
QPGSWBUOFHXFFX-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O
- Average molar mass
- 247.68 g/mol
- Monoisotopic mass
- 247.0512396
Names & identifiers
- Preferred name
- N-(4-Chlorophenyl)-N'-(3-pyridinyl)urea
- IUPAC
- 1-(4-chlorophenyl)-3-pyridin-3-ylurea
- English name
- Urea, N-(4-chlorophenyl)-N'-3-pyridinyl-
- Molecular formula
- C12H10ClN3O
- Molecular weight
- 247.6803
Names & synonyms
N-(4-chlorophenyl)-N'-(3-pyridinyl)ureaRefChem:827483652-986-21-(4-chlorophenyl)-3-pyridin-3-ylurea13208-59-8Urea, N-(4-chlorophenyl)-N'-3-pyridinyl-N-(4-chlorophenyl)-N'-3-pyridinylureaVU0136203-2MLS0005323471-(4-chlorophenyl)-3-(3-pyridyl)ureaCambridge id 5250815Oprea1_773360
Show more names
cid_759079SCHEMBL9190814CHEMBL1373565BDBM65926DTXSID00353922HMS2493D19CCG-25841STL115939
Database identifiers
- CAS
13208-59-8- PubChem CID
- 759079
- DTXSID
DTXSID00353922- ChEMBL
CHEMBL1373565- EC Number
- 652-986-2
- Nikkaji
- J1.856.972H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- 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
- H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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