3-Chlorophenylurea
Basic information
- CAS
1967-27-7- Standard SMILES
NC(=O)Nc1cccc(Cl)c1- InChIKey
PPCUBWWPGYHEJE-UHFFFAOYSA-N- Molecular formula
- C7H7ClN2O
- Average molar mass
- 170.59 g/mol
- Monoisotopic mass
- 170.0246905
Names & identifiers
- Preferred name
- 3-Chlorophenylurea
- IUPAC
- (3-chlorophenyl)urea
- English name
- m-Chlorophenylurea
- Molecular formula
- C7H7ClN2O
- Molecular weight
- 170.6
Names & synonyms
1967-27-73-CHLOROPHENYLUREAmeta-ChlorophenylureaUrea, (3-chlorophenyl)-NSC-41826YM6G7RE55SDTXSID90173338RefChem:93530DTXCID6095829622-395-4(3-chlorophenyl)urea1-(3-chlorophenyl)urea
Show more names
m-ChlorophenylureaN-(3-chlorophenyl)ureaMFCD00025416CHEMBL131289N-[3-chlorophenyl]ureaUrea,N-(3-chlorophenyl)-NSC 418263-(3-chlorophenyl)urea
Database identifiers
- CAS
1967-27-7- PubChem CID
- 16075
- DTXSID
DTXSID90173338- ChEMBL
CHEMBL131289- UNII
- YM6G7RE55S
- EC Number
- 622-395-4
- Nikkaji
- J1.504.754B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
LogP1.82
Physicochemical properties
- Melting point
- 136 · 136-137 °C
- Boiling point
- 269.7 · 269.7±23.0 °C(Predicted)
- Density
- 1.402 · 1.402±0.06 g/cm3(Predicted)
- pka
- 14.33 · 14.33±0.70(Predicted)
- FDA UNII
- 6 G7RE55S · YM6G7RE55S
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H301-H319-H335-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H317-H301-H319-H335-H315
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
2 records
Compound notes
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