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| CAS No.: | 13810-83-8 |
|---|---|
| Name: | TETRABROMOPHTHALIC ACID |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C8H2Br4O4 |
| Molecular Weight: | 481.717 |
| Synonyms: | Phthalicacid, tetrabromo- (6CI,7CI,8CI);Perbromophthalic acid;Tetrabromophthalic acid; |
| Density: | 2.687 g/cm3 |
| Boiling Point: | 494.3 °C at 760mmHg |
| Flash Point: | 252.8 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 74.60000 |
| LogP: | 4.13300 |
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- Total:9 Page 1 of 1 1
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Specification
This chemical is called 1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo-, and its IUPAC name is 3,4,5,6-tetrabromophthalic acid. With the molecular formula of C8H2Br4O4, its molecular weight is 481.72. The CAS registry number of this chemical is 13810-83-8. Additionally, its classification code is Mutation data. It's hydrolysis product of flame retardant tetrabromophthalic anhydride.
Other characteristics of the 1,2-Benzenedicarboxylicacid, 3,4,5,6-tetrabromo- can be summarised as followings: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.18; (4)ACD/LogD (pH 7.4): -1.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 70.87 cm3; (15)Molar Volume: 179.2 cm3; (16)Polarizability: 28.09×10-24cm3; (17)Surface Tension: 78.5 dyne/cm; (18)Density: 2.687 g/cm3; (19)Flash Point: 252.8 °C; (20)Enthalpy of Vaporization: 80.21 kJ/mol; (21)Boiling Point: 494.3 °C at 760 mmHg; (22)Vapour Pressure: 1.37E-10 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. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1c(c(c(Br)c(Br)c1Br)C(=O)O)C(=O)O
2.InChI: InChI=1/C8H2Br4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)
3.InChIKey: XIRDTMSOGDWMOX-UHFFFAOYAR