Benzylurea

HCID 10853
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Basic information

CAS
538-32-9
Standard SMILES
NC(=O)NCc1ccccc1
InChIKey
RJNJWHFSKNJCTB-UHFFFAOYSA-N
Molecular formula
C8H10N2O
Average molar mass
150.18 g/mol
Monoisotopic mass
150.07931295

Names & identifiers

Preferred name
Benzylurea
IUPAC
benzylurea
English name
Benzylurea
Molecular formula
C8H10N2O
Molecular weight
150.18

Names & synonyms

Benzylurea1-BenzylureaN-BenzylureaBenzylcarbamideUrea, (phenylmethyl)-PhenylmethylureaUREA, BENZYL-N-(Phenylmethyl)ureaEINECS 208-689-1BRN 2208083NSC 109103UNII-0K14I09J76
Show more names
benzyl-ureAKOS B028826Benzylurea98%Benzylurea,93%Benzylurea >benzylcarbamide
AI3-61350BENZYLUREA [MI]0K14I09J76NSC-109103RJNJWHFSKNJCTB-UHFFFAOYSA-DTXSID10202078EC 208-689-14-12-00-02253 (Beilstein Handbook Reference)

Database identifiers

CAS
538-32-9
PubChem CID
10853
DTXSID
DTXSID10202078
ChEMBL
CHEMBL1878784
UNII
0K14I09J76
EC Number
208-689-1
Nikkaji
J83.757A

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
55.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Melting point
149 · 149-151 °C(lit.)
Boiling point
271.72 °C · 271.72°C (rough estimate)
Density
1.1392 · 1.1392 (rough estimate)
refractive index
1.618 · 1.6180 (estimate)
storage temp.
30 °C · Store below +30°C.
solubility
17 g/l · 17g/l

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.；There are 2 notifications provided by 5 of 6 reports by companies with hazard statement code(s).；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

Regulatory Information · 2 items

Status: Active Update: 20-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16640

Urea, (phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (83.3%)；Eye Irrit. 2A (83.3%)；STOT SE 3 (83.3%)

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 20-10-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/16640

Urea, (phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk
2
rtecs
YS1780000
hs_code
2924 21 00
Toxicity
LD50 orally in Rabbit: 4410 mg/kg
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesBenzylurea is used as an organic chemical synthesis intermediate.

Upstream & downstream products

Downstream products

Suppliers98 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

42 records
New reaction record

Compound notes

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