6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoic acid supplier

Name
6-(7-NITRO-2,1,3-BENZOXADIAZOL-4-YLAMINO)HEXANOIC ACID
EINECS
CAS No. 88235-25-0
Article Data13
CAS DataBase
Density 1.462 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄N₄O₅
Boiling Point 559.4 °C at 760 mmHg
Molecular Weight 294.267
Flash Point 292.1 °C
Transport Information
Appearance
Safety 22-26-36-45
Risk Codes 23/24/25-36/37/38
Molecular Structure
Hazard Symbols
Synonyms Hexanoicacid, 6-[(7-nitro-4-benzofurazanyl)amino]-;2,1,3-Benzoxadiazole, hexanoic acidderiv.;6-[(7-Nitrobenzofurazan-4-yl)amino]hexanoic acid;6-[N-(7-Nitrobenz-2-oxa-1,3-diazol-4-yl)amino]hexanoic acid;C6-NBD;N316;NBD-X;
PSA 134.07000
LogP 2.78410

6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoic acid Specification

The 6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoic acid with the cas number 88235-25-0 is also called Hexanoic acid,6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-. The IUPAC name is 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid. Its molecular formula is C₁₂H₁₄N₄O₅. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24 ; (4)ACD/BCF (pH 5.5): 3.28; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 47.45; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 114.28 Å²; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 73.46 cm³; (14)Molar Volume: 201.2 cm³; (15)Polarizability: 29.12×10^-24cm³; (16)Surface Tension: 73.1 dyne/cm; (17)Enthalpy of Vaporization: 88.56 kJ/mol; (18)Vapour Pressure: 2.38×10 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is toxic by inhalation, in contact with skin and if swallowed. And it is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(c2nonc12)NCCCCCC(=O)O
(2)InChI: InChI=1/C12H14N4O5/c17-10(18)4-2-1-3-7-13-8-5-6-9(16(19)20)12-11(8)14-21-15-12/h5-6,13H,1-4,7H2,(H,17,18)
(3)InChIKey: DJFNQJJTTPMBIL-UHFFFAOYAI

Product Name

6-(7-NITRO-2,1,3-BENZOXADIAZOL-4-YLAMINO)HEXANOIC ACID

6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoic acid Specification

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