CAS No.2978-11-2,O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA Suppliers,MSDS download

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Molecular Structure:
CAS No.:	2978-11-2
Name:	O-(4-NITROBENZYL)-N,N'-DIISOPROPYLISOUREA
Article Data:	2

Formula:	C₁₄H₂₁N₃O₃
Molecular Weight:	279.339
Synonyms:	Pseudourea,1,3-diisopropyl-2-(p-nitrobenzyl)- (7CI,8CI);O-p-Nitrobenzyl-N,N'-diisopropylisourea;
EINECS:	221-027-6
Density:	1.12 g/cm³
Melting Point:	37-40 °C
Boiling Point:	465.1 °C at 760 mmHg
Flash Point:	235.1 °C
Hazard Symbols:	T
Risk Codes:	23/24/25
Safety:	36/37/39-45
Transport Information:	UN 2811
PSA:	79.44000
LogP:	3.78790

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Specification

The Carbamimidic acid,N,N'-bis(1-methylethyl)-, (4-nitrophenyl)methyl ester, with the CAS registry number 2978-11-2, is also known as 1,3-Diisopropyl-2-(p-nitrobenzyl)isourea. It belongs to the product categories of Aryl; Nitro; None; Analytical Chemistry;Carboxyl Group Labeling Reagents for Hplc; Hplc Labeling Reagents; UV Detection (HPLC Labeling Reagents); Other. Its EINECS registry number is 221-027-6. This chemical's molecular formula is C₁₄H₂₁N₃O₃ and molecular weight is 279.33. Its systematic name is called 4-nitrobenzyl N,N'-dipropan-2-ylcarbamimidate. What's more, the product should be sealed and stored in cool and dry place at 2-8 °C.

Physical properties of Carbamimidic acid,N,N'-bis(1-methylethyl)-, (4-nitrophenyl)methyl ester: (1)ACD/LogP: 3.58; (2)ACD/LogD (pH 5.5): 1.62; (3)ACD/LogD (pH 7.4): 2.51; (4)ACD/BCF (pH 5.5): 3.4; (5)ACD/BCF (pH 7.4): 26.53; (6)ACD/KOC (pH 5.5): 23.2; (7)ACD/KOC (pH 7.4): 181.26; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 76.93 cm³; (13)Molar Volume: 247.3 cm³; (14)Surface Tension: 38 dyne/cm; (15)Density: 1.12 g/cm³; (16)Flash Point: 235.1 °C; (17)Enthalpy of Vaporization: 72.66 kJ/mol; (18)Boiling Point: 465.1 °C at 760 mmHg; (19)Vapour Pressure: 7.94E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)CO/C(=N/C(C)C)NC(C)C
(2)InChI: InChI=1/C14H21N3O3/c1-10(2)15-14(16-11(3)4)20-9-12-5-7-13(8-6-12)17(18)19/h5-8,10-11H,9H2,1-4H3,(H,15,16)
(3)InChIKey: FYDMCLCYYCIDMZ-UHFFFAOYAA