Basic information
- CAS
13208-22-5- Standard SMILES
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl- InChIKey
WQYIKPIEHGBTGB-UHFFFAOYSA-N- Molecular formula
- C13H9Cl3N2O
- Average molar mass
- 315.6 g/mol
- Monoisotopic mass
- 313.978046
Names & identifiers
- Preferred name
- Carbanilide, 2,3',4'-trichloro-
- IUPAC
- 1-(2-chlorophenyl)-3-(3,4-dichlorophenyl)urea
- English name
- N-(3,4-Dichlorophenyl)-N'-(2-chlorophenyl)urea
- Molecular formula
- C13H9Cl3N2O
- Molecular weight
- 315.58
Names & synonyms
13208-22-51-(2-chlorophenyl)-3-(3,4-dichlorophenyl)urea2',3,4-TrichlorocarbanilideBRN 3379967CARBANILIDE, 2,3',4'-TRICHLORO-DTXSID401573454-12-00-01264 (Beilstein Handbook Reference)RefChem:574155DTXCID1079836667-374-0N-(3,4-Dichlorophenyl)-N'-(2-chlorophenyl)ureaOprea1_196542
Show more names
2,3',4'-TrichlorocarbanilideUrea, N-(2-chlorophenyl)-N'-(3,4-dichlorophenyl)-
N-(3,4-Dichlorophenyl)-N/'-(2-chlorophenyl)ureaSCHEMBL8208060CHEMBL1688064AKOS001033009EBC-612018UPCMLD0ENAT0505-1922:001N-(2-Chlorophenyl)-N'-(3,4-dichlorophenyl)ureaZ44589698
Database identifiers
- CAS
13208-22-5- PubChem CID
- 25784
- DTXSID
DTXSID40157345- ChEMBL
CHEMBL1688064- EC Number
- 667-374-0
- Nikkaji
- J42.868J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 220 · 220.0-220.6 °C
- Boiling point
- 340.5 · 340.5±42.0 °C(Predicted)
- Density
- 1.534 · 1.534±0.06 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410
- Precautionary statements
- 273 · P273-P391-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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, 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 CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H410
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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