CAS 622-51-5 N-(4-Methylphenyl)urea (HCID 12148)

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Basic information

CAS: 622-51-5
Standard SMILES: Cc1ccc(NC(N)=O)cc1
InChIKey: DMSHKWHLXNDUST-UHFFFAOYSA-N
Molecular formula: C8H10N2O
Average molar mass: 150.18 g/mol
Monoisotopic mass: 150.07931294

Overview

P-tolylurea appears as colorless crystals. (NTP, 1992)

Names & identifiers

Preferred name: N-(4-Methylphenyl)urea
IUPAC: (4-methylphenyl)urea
English name: p-Tolylurea
Molecular formula: C8H10N2O
Molecular weight: 150.18

Names & synonyms

P-TOLYLUREA622-51-54-Methylphenylureap-Tolylcarbamide4-TolylureaN-(4-Methylphenyl)ureaUrea, p-tolyl-Urea, (4-methylphenyl)-1-(4-methylphenyl)ureap-methylphenylureaNCI-C02153DTXSID7021366

Show more names

NSC 66557p-tolyl-ureAKOS B028828Urea, p-tolyl.PARA-TOLYLUREAp-tolycarbamide

JCJ6M4A3I5DTXCID901366N-P-TOLYLUREANSC-66557RefChem:169400210-739-21-(p-Tolyl)urea(4-Methylphenyl)urea

Database identifiers

CAS: 622-51-5
PubChem CID: 12148
DTXSID: DTXSID7021366
ChEMBL: CHEMBL3187464
UNII: JCJ6M4A3I5
EC Number: 210-739-2
Nikkaji: J30.211B

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 139

Experimental & physicochemical properties

LogP0.8

SolubilitySlightly soluble in hot water (NTP, 1992)

Melting Point361 °F (NTP, 1992)

Physical DescriptionP-tolylurea appears as colorless crystals. (NTP, 1992)

Physicochemical properties

Melting point: 178 · 178-181 °C
Boiling point: 255 ℃ · 255℃
Density: 1.192 · 1.192
refractive index: 1.618 · 1.6180 (estimate)
Flash point: 108 ℃ · 108℃
storage temp.: 2 · 2-8°C
form: powder to crystal
pka: 14.61 · 14.61±0.50(Predicted)
color: White to Almost white
Water Solubility

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, 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.

Hazard information

Health HazardsACUTE/CHRONIC HAZARDS: Slightly toxic. Hazardous decomposition products. (NTP, 1992)

Reactive GroupAmides and Imides

Reactivity Profile · 1 item

P-TOLYLUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsSlightly soluble in hot water.

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

Safety & protection

Fire Fighting · 1 item

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)