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626-15-3

Basic Information
CAS No.: 626-15-3
Name: 1,3-Bis(bromomethyl)benzene
Article Data: 45
Molecular Structure:
Molecular Structure of 626-15-3 (1,3-Bis(bromomethyl)benzene)
Formula: C8H8Br2
Molecular Weight: 263.96
Synonyms: m-Xylene, α,α'-dibromo- (6CI,7CI,8CI);NSC 28040;m-(Bromomethyl)benzyl bromide;m-Bis(bromomethyl)benzene;m-Xylylenedibromide;α,α'-Dibromo-1,3-xylene;α,α'-Dibromo-m-xylene;α,α'-m-Xylene dibromide;
EINECS: 210-931-6
Density: 1.778 g/cm3
Melting Point: 74-77 °C(lit.)
Boiling Point: 258.2 °C at 760 mmHg
Flash Point: 138.1 °C
Solubility: Dioxane: 0.1 g/mL, clear, colorless
Appearance: white to light yellow crystal powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-43
Safety: 26-36/37
Transport Information: UN 3448 6.1/PG 2
PSA: 0.00000
LogP: 3.47640
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Specification

The Benzene, 1, 3-bis(bromomethyl)-, with the CAS registry number of 626-15-3, is also known as α,α'-m-Xylene dibromide and m-Bis(bromomethyl)benzene. It belongs to the product categories of Halides; Aromatic Halides (substituted). Its EINECS registry number is 210-931-6. This chemical's molecular formula is C8H8Br2 and molecular weight is 263.96. What's more, its IUPAC name is 1, 3-Bis(bromomethyl)benzene. In addition, it should be stored in dry, cool, airtight place. Avoid contact with oxidant, alkali, reactive metal, otherwise it would decompose. Besides, the storage place must be locked, the key must be kept by technical experts and their assistants.

Physical properties about Benzene, 1, 3-bis(bromomethyl)- are: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 331.91; (6)ACD/BCF (pH 7.4): 331.91; (7)ACD/KOC (pH 5.5): 2218.97; (8)ACD/KOC (pH 7.4): 2218.97; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 51.54 cm3; (15)Molar Volume: 148.4 cm3; (16)Polarizability: 20.43×10-24 cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.778 g/cm3; (19)Flash Point: 138.1 °C; (20)Enthalpy of Vaporization: 47.57 kJ/mol; (21)Boiling Point: 258.2 °C at 760 mmHg; (22)Melting Point: 74-77 °C(lit. ); (23)Vapour Pressure: 0.0225 mmHg at 25 °C.

Preparation: this chemical is prepared by 1, 3-Dimethyl-benzene at heating. The reaction needs reagents NBS and Bz2O2. Meanwhile, it needs solvent CCl4. The reaction time is 12 hours.

Uses: it is used to produce other chemicals. For example, it is used to produce Benzene-1, 3-dicarbaldehyde. The reaction needs reagents Bis(p-methoxyphenyl)selenoxide and NaHCO3. Meanwhile, it needs solvent Acetonitrile. Other condition of this reaction is reaction time of 5 hours at 75 °C. The yield is about 90 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: BrCc1cccc(c1)CBr
(2) InChI: InChI=1/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
(3) InChIKey: OXHOPZLBSSTTBU-UHFFFAOYAU