o-Tolylurea
Basic information
- CAS
614-77-7- Standard SMILES
Cc1ccccc1NC(N)=O- InChIKey
BLSVCHHBHKGCSQ-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931295
Names & identifiers
- Preferred name
- o-Tolylurea
- IUPAC
- (2-methylphenyl)urea
- English name
- O-TOLYLUREA
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
o-Tolylurea(2-Methylphenyl)ureaUrea, (2-methylphenyl)-o-Tolylcarbamide1-(2-Methylphenyl)ureaUrea, o-tolyl-o-MethylphenylureaN-(2-Methylphenyl)urea2-Methylphenylurea2-TolylureaN-O-TOLYLUREANSC 406061
Show more names
o-tolyl-ureAKOS B028822o-Tolylurea,98%1-(o-Tolyl)ureao-Tolylurea,96%o-Tolylurea >
ortho-TolylureaNN2Q3E7AYYAI3-20153EINECS 210-394-8NSC-406061BRN 2690754UNII-NN2Q3E7AYYBLSVCHHBHKGCSQ-UHFFFAOYSA-
Database identifiers
- CAS
614-77-7- PubChem CID
- 69198
- DTXSID
DTXSID70210331- UNII
- NN2Q3E7AYY
- EC Number
- 210-394-8
- Nikkaji
- J30.213I
Properties
Computed structural properties
- XLogP
- 0.3
- 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
- 147
Physicochemical properties
- Melting point
- 190 · 190-195 °C
- Boiling point
- 248 ℃ · 248℃
- Density
- 1.192 · 1.192
- refractive index
- 1.618 · 1.6180 (estimate)
- Flash point
- 104 ℃ · 104℃
- form
- powder to crystal
- pka
- 14.53 · 14.53±0.50(Predicted)
- color
- White to Light yellow
- Water Solubility
- 2.504 g/L · 2.504g/L(45 ºC)
- BRN
- 2690754 · 2690754
- CAS DataBase Reference
- 614 · 614-77-7(CAS DataBase Reference)
- FDA UNII
- 2 Q3E7AYY · NN2Q3E7AYY
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-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
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 (97.5%)
Safety data
- rtecs
- YU4100000
- hs_code
- 2921.51.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…