Basic Information | Post buying leads | Suppliers |
Name |
3-(p-Bromophenyl)-1-methyl-1-nitrosourea |
EINECS | N/A |
CAS No. | 23139-02-8 | Density | 1.61g/cm3 |
PSA | 61.77000 | LogP | 2.66720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8BrN3O2 | Boiling Point | 49.3°C (rough estimate) |
Molecular Weight | 258.074 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
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