Alpha,alpha-dibromotoluene

HCID 69249

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Basic information

CAS: 618-31-5
Standard SMILES: BrC(Br)c1ccccc1
InChIKey: VCJZTATVUDMNLU-UHFFFAOYSA-N
Molecular formula: C7H6Br2
Average molar mass: 249.93 g/mol
Monoisotopic mass: 247.88363

Names & identifiers

Preferred name: Alpha,alpha-dibromotoluene
IUPAC: dibromomethylbenzene
English name: Benzal bromide
Molecular formula: C7H6Br2
Molecular weight: 249.93

Names & synonyms

Benzal bromidealpha,alpha-DibromotolueneBenzene, (dibromomethyl)-EINECS 210-543-7AI3-02474RefChem:555063210-543-7(Dibromomethyl)benzene618-31-5DIBROMOMETHYLBENZENEBenzylidene bromideBenzylidene dibromide

Show more names

-Dibromotoluenebenzylene bromideα,α-dibromotolueneα,α-Dibromotoluene

BenzalbromidBenzal dibromidea,a-Dibromotoluenedibromomethyl-benzeneMFCD00000130Dibromophenylmethane29732-82-9alpha-Dibromotoluene

Database identifiers

CAS: 618-31-5
PubChem CID: 69249
DTXSID: DTXSID90977378
EC Number: 210-543-7
Nikkaji: J11.533I

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 75

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physicochemical properties

Melting point: 111 ℃ · 111℃
Boiling point: 156 °C23 · 156 °C23 mm Hg(lit.)
Density: 1.51 g/mL · 1.51 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.614(lit.)
Flash point: 230 °F · >230 °F
form: liquid
BRN: 1906098 · 1906098
InChI: 1S/C7H6Br2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChIKey: VCJZTATVUDMNLU-UHFFFAOYSA-N
SMILES: BrC(Br)c1ccccc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331-H314
Precautionary statements: 261 · P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: T
Risk Statements: 23 · 23/24/25-34
Safety Statements: 23 · 23-26-36/37/39-45
RIDADR: 2927 · UN 2927 6.1/PG 2
WGK Germany: 3 · 3
F: 19 · 19
HazardClass: 6.1 · 6.1(a)
PackingGroup: II
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 3 OralSkin · Acute Tox. 3 OralSkin Corr. 1B
Limited Quantities: 100 ml · 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

F: 19
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2927 6.1/PG 2
risk_code: 23/24/25-34
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T
safety_code: 23-26-36/37/39-45
hazard_class: 6.1(a)
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
Hazard statements: H301+H311+H331-H314
Limited Quantities: 100ml (liquid) or 0.5 Kg (solid)
Excepted Quantities: Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Acute Tox. 3 OralSkin Corr. 1B
Precautionary statements: P261-P270-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 2 items

Usesα,α-Dibromotoluene undergoes polymerization with excess Mg to give poly(phenylmethylene)s. It reacts with NaSO2Me at 110°C to yield a mixture of the monosulfone and α,α-disulfone. It undergoes copolycondensation with α,α′-dibromo-p-xylylene in the presence of excess Mg via nucleophilic substitution of in situ generated Grignard reagents.

General Descriptionα,α-Dibromotoluene undergoes polymerization with excess Mg to give poly(phenylmethylene)s. It reacts with NaSO2Me at 110°C to yield a mixture of the monosulfone and α,α-disulfone. It undergoes copolycondensation with α,α′-dibromo-p-xylylene in the presence of excess Mg via nucleophilic substitution of in situ generated Grignard reagents.

Suppliers44 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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Compound notes

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