775-11-1

Basic information

• Product Name: N-benzylnitrosourea
• Synonyms: N-benzylnitrosourea;NITROSOBENZYLUREA;N-NITROSOBENZYLUREA;1-Benzyl-1-nitrosourea
• CAS NO: 775-11-1
• Molecular Formula: C₈H₉N₃O₂
• Molecular Weight: 179.20
• Mol File: 775-11-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 311.69°C (rough estimate)
• Flash Point: 146.2°C
• Appearance: /
• Density: 1.2896 (rough estimate)
• Vapor Pressure: 0.00037mmHg at 25°C
• Refractive Index: 1.7400 (estimate)
• CAS DataBase Reference: N-benzylnitrosourea(CAS DataBase Reference)
• NIST Chemistry Reference: N-benzylnitrosourea(775-11-1)
• EPA Substance Registry System: N-benzylnitrosourea(775-11-1)

Safety Data

• Hazardous Substances Data: 775-11-1(Hazardous Substances Data)

Usage

Safety Profile

Questionable carcinogen withexperimental tumorigenic data. Mutation data reported.Many N-nitroso compounds are carcinogens. Whenheated to decomposition it emits toxic fumes of NOx. Seealso N-NITROSO COMPOUNDS.

InChI:InChI=1/C8H9N3O2/c9-8(12)11(10-13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,12)

Upstream product

• 538-32-9 benzylurea 
• 7782-77-6 cis-nitrous acid 
• 3287-99-8 benzylamine hydrochloride 

Downstream Products

• 93-58-3 benzoic acid methyl ester 
• 538-86-3 benzyl methyl ether 
• 140-11-4 Benzyl acetate 
• 96516-91-5 ((3-methoxypropoxy)methyl)benzene 
• 100-52-7 benzaldehyde 
• 100-51-6 benzyl alcohol 
• 55043-75-9 N¹-benzyl guanosine 
• 4552-61-8 2-amino-6-benzyloxy-9-β-D-ribofuranosylpurine 
• 72360-76-0 7-benzylguanosine 
• 71171-58-9 N²-benzyl-2'-deoxyguanosine 
• 83236-78-6 4-benzyl-5-guanidino-1β-D-ribofuranosylimidazole 
• 55677-94-6 N₁-Benzyl-adenosine 
• 4294-16-0 N₆-Benzyladenosine 
• 908094-04-2 phenyldiazomethane 

Relevant articles and documents

Reactivity Effects on Site Selectivity in Nucleoside Aralkylation: A Model for the Factors Influencing the Sites of Carcinogen-Nucleic Acid Interactions

Product distributions are described for 15 reactions between guanosine (1) and a series of p-Y-benzyl bromides (2a-e), p-Y-benzoyl chlorides (3a-e), and N-nitroso-N-(p-Y-benzyl)ureas (4a-e) where Y = a, O2N; b, Cl; c, H; d, CH3; e, CH3O.The yields of products from reaction at the 7-position of guanosine to produce 7-(p-Y-benzyl)guanosines (5a-e), at N2 to produce N2-(p-Y-benzyl)guanosines (6a-e), at the O6-position to produce O6-(p-Y-benzyl)guanosines (7a-e), and at the 5-position to produce 4-(p-Y-benzyl)-5-guanidino-1-β-D-ribofuranosylimidazoles (8a-e) arecorrelated with the mechanism of the reaction (i.e., the SN2 or SN1 character) imposed by the para substituent and/or leaving group and the nature of the incipient charge density (i.e., the "hardness" or "softness") at the reaction center.These observations, coupled with the literature on sites of reaction of carcinogens with nucleic acid components, are used to rationalize the site selectivity differences exhibited by the alkylating and aralkylating classes of carcinogens in their nucleic acid reactions.