3-(p-Bromophenyl)-1-methyl-1-nitrosourea supplier

Name
1-Methyl-1-nitroso-3-(p-bromophenyl)urea
EINECS
CAS No. 23139-02-8
Density 1.61g/cm³
Solubility
Melting Point
Formula C₈H₈BrN₃O₂
Boiling Point 49.3°C (rough estimate)
Molecular Weight 258.074
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Urea,3-(p-bromophenyl)-1-methyl-1-nitroso- (8CI);1-Methyl-1-nitroso-3-(p-bromophenyl)urea;1-Methyl-3-(p-bromophenyl)-1-nitrosourea;
PSA 61.77000
LogP 2.66720

3-(p-Bromophenyl)-1-methyl-1-nitrosourea Specification

This chemical is called 3-(p-Bromophenyl)-1-methyl-1-nitrosourea, and it can also be named as 1-Methyl-3-(4-bromophenyl)-1-nitrosourea. With the molecular formula of C₈H₈BrN₃O₂, its molecular weight is 258.07202. The CAS registry number of this chemical is 23139-02-8, and its classification codes are Mutation data; Tumor data. In addition, this chemical is often used as extinguishing agent, and it should be stored at low and dry temperature.

Other characteristics of the 3-(p-Bromophenyl)-1-methyl-1-nitrosourea can be summarised as followings: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 124.2; (6)ACD/BCF (pH 7.4): 124.2; (7)ACD/KOC (pH 5.5): 1097.98; (8)ACD/KOC (pH 7.4): 1097.95; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.98 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 56 cm³; (15)Molar Volume: 159.3 cm³; (16)Polarizability: 22.2×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.61 g/cm³.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(NC(=O)N(N=O)C)cc1
2.InChI: InChI=1/C8H8BrN3O2/c1-12(11-14)8(13)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,13)
3.InChIKey: XSHFAQXUVMJKGJ-UHFFFAOYAG

Product Name

1-Methyl-1-nitroso-3-(p-bromophenyl)urea

3-(p-Bromophenyl)-1-methyl-1-nitrosourea Specification

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