Benzoylurea

HCID 69190

Notes Reactions

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Basic information

CAS: 614-22-2
Standard SMILES: NC(=O)NC(=O)c1ccccc1
InChIKey: HRYILSDLIGTCOP-UHFFFAOYSA-N
Molecular formula: C8H8N2O2
Average molar mass: 164.16 g/mol
Monoisotopic mass: 164.0585775

Names & identifiers

Preferred name: Benzoylurea
IUPAC: N-carbamoylbenzamide
English name: BENZOYLUREA
Molecular formula: C8H8N2O2
Molecular weight: 164.16

Names & synonyms

BenzoylureaN-carbamoylbenzamideN-BenzoylureaUrea, benzoyl-Benzoic acid, ureideBenzamide, N-(aminocarbonyl)-EINECS 210-372-8UE5G06JM9DNSC 402028BRN 2045538AI3-03751UNII-UE5G06JM9D

Show more names

NSC402028ST5409882benzoyl-ureZINC00156273

NSC-402028CHEBI:39416DTXSID302103173-09-00-01115 (Beilstein Handbook Reference)RefChem:118817DTXCID30132808Benzamide, N-(aminocarbonyl)-(9CI)210-372-8

Database identifiers

CAS: 614-22-2
PubChem CID: 69190
DTXSID: DTXSID30210317
ChEBI: CHEBI:39416
UNII: UE5G06JM9D
EC Number: 210-372-8
Nikkaji: J95.770D

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 185

Physicochemical properties

Melting point: 209 · 209-210°C
Density: 1.257 · 1.257±0.06 g/cm3(Predicted)
form: powder to crystal
pka: 10.79 · 10.79±0.46(Predicted)
color: White to Almost white
BRN: 2045538 · 2045538
EWG's Food Scores: 1 · 1
FDA UNII: 5 G06JM9D · UE5G06JM9D
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312+P330-P501
Safety Statements: 22 · 22-24/25
RTECS: 9070000 · YR9070000
HS Code: 2924.21 · 2924.21.4500

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (95%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (95%)

Safety data

rtecs: YR9070000
hs_code: 2924.21.4500
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 22-24/25
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312+P330-P501

Chemistry & industry

Applications · 2 items

UsesBenzoylurea exists as leaf-shaped crystals in ethanol and decomposes into benzamide and cyanuric acid upon heating. It can be used in organic synthesis.

DescriptionBenzoylureas have some of the most unusual physical properties of any crop protection chemicals. They are all highly crystalline, lipophilic solids with high melting points. Consequently, they have extremely low vapor pressure, very low water-solubility, and their solubility in many organic solvents is also low.