CAS No.175136-34-2,3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	175136-34-2
Name:	3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-AMINE
Article Data:	5

Formula:	C₉H₁₁NO₂
Molecular Weight:	165.192
Synonyms:	3,4-Dihydro-2H-1,5-benzodioxepin-7-amine;BUTTPARK 121\15-34;7-Amino-3,4-dihydro-2H-1,5-benzodioxepine;3,4-Trimethylenedioxyaniline;
EINECS:	604-604-1
Density:	1.193 g/cm³
Melting Point:	81 °C
Boiling Point:	307.4 °C at 760 mmHg
Flash Point:	152.4 °C
Solubility:	Soluble in water. High soluble in ethanol, acetone.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	44.48000
LogP:	2.01130

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Specification

The CAS register number of 2H-1,5-Benzodioxepin-7-amine,3,4-dihydro- is 175136-34-2. It also can be called as 7-Amino-3,4-dihydro-2H-1,5-benzodioxepine and the IUPAC name about this chemical is 3,4-dihydro-2H-1,5-benzodioxepin-7-amine. The molecular formula about this chemical is C₉H₁₁NO₂ and the molecular weight is 165.19.

Physical properties about 2H-1,5-Benzodioxepin-7-amine,3,4-dihydro- are: (1)ACD/LogP: 0.87; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/LogD (pH 7.4): 0.87; (4)ACD/BCF (pH 5.5): 2.23; (5)ACD/BCF (pH 7.4): 2.69; (6)ACD/KOC (pH 5.5): 58.46; (7)ACD/KOC (pH 7.4): 70.68; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 21.7 Å²; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 45.87 cm³; (14)Molar Volume: 138.3 cm³; (15)Polarizability: 18.18x10^-24cm³; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.193 g/cm³; (18)Flash Point: 152.4 °C; (19)Enthalpy of Vaporization: 54.8 kJ/mol; (20)Boiling Point: 307.4 °C at 760 mmHg; (21)Vapour Pressure: 0.000728 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and it may cause inflammation to the skin or other mucous membranes. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. It is slightly hazardous to water. If no official permission, do not put materials into the permission surroundings.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(OCCC1)cc(N)cc2
(2)InChI: InChI=1/C9H11NO2/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6H,1,4-5,10H2
(3)InChIKey: FVLCICVRAPEYNX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H11NO2/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6H,1,4-5,10H2
(5)Std. InChIKey: FVLCICVRAPEYNX-UHFFFAOYSA-N