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CAS No.: | 38309-89-6 |
---|---|
Name: | 2,7-BIS(BROMOMETHYL)NAPHTHALENE |
Article Data: | 24 |
Molecular Structure: | |
Formula: | C12H10Br2 |
Molecular Weight: | 314.019 |
Synonyms: | 2,7-Bis(bromomethyl)naphthalene; |
Density: | 1.72 g/cm3 |
Melting Point: | 146-150 °C |
Boiling Point: | 386.3 °C at 760 mmHg |
Flash Point: | 219.2 °C |
Hazard Symbols: | Xi,N |
Risk Codes: | 36/37/38-50/53 |
Safety: | 26-60-61 |
Transport Information: | UN 3077 |
PSA: | 0.00000 |
LogP: | 4.62960 |
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The systematic name of 2,7-Bis(bromomethyl)naphthalene is 2,7-bis(bromomethyl)naphthalene. With the CAS registry number 38309-89-6, it is also named as Naphthalene, 2,7-bis(bromomethyl)-. The product's categories are Aryl; C9 to C12; Halogenated Hydrocarbons. In addition, its molecular formula is C12H10Br2 and molecular weight is 314.02.
The other characteristics of 2,7-Bis(bromomethyl)naphthalene can be summarized as: (1)ACD/LogP: 4.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.85; (4)ACD/LogD (pH 7.4): 4.85; (5)ACD/BCF (pH 5.5): 2859.9; (6)ACD/BCF (pH 7.4): 2859.9; (7)ACD/KOC (pH 5.5): 10366.96; (8)ACD/KOC (pH 7.4): 10366.96; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 69.39 cm3; (14)Molar Volume: 182.5 cm3; (15)Polarizability: 27.5×10-24cm3; (16)Surface Tension: 51.5 dyne/cm; (17)Density: 1.72 g/cm3; (18)Flash Point: 219.2 °C; (19)Melting Point: 146-150 °C; (20)Enthalpy of Vaporization: 61.04 kJ/mol; (21)Boiling Point: 386.3 °C at 760 mmHg; (22)Vapour Pressure: 7.95E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: it irritates to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, it is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. This material and its container must be disposed of as hazardous waste. Additionally, you should avoid release to the environment, and refer to special instructions / safety data sheets.
People can use the following data to convert to the molecule structure.
(1)SMILES: BrCc1cc2cc(ccc2cc1)CBr
(2)InChI: InChI=1/C12H10Br2/c13-7-9-1-3-11-4-2-10(8-14)6-12(11)5-9/h1-6H,7-8H2
(3)InChIKey: FJSRQBBGMVBGHK-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H10Br2/c13-7-9-1-3-11-4-2-10(8-14)6-12(11)5-9/h1-6H,7-8H2
(5)Std. InChIKey: FJSRQBBGMVBGHK-UHFFFAOYSA-N