CAS 615-59-8 2,5 Dibromotoluene (HCID 12006)

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Basic information

CAS: 615-59-8
Standard SMILES: Cc1cc(Br)ccc1Br
InChIKey: QKEZTJYRBHOKHH-UHFFFAOYSA-N
Molecular formula: C7H6Br2
Average molar mass: 249.93 g/mol
Monoisotopic mass: 247.88362439

Names & identifiers

Preferred name: 2,5 Dibromotoluene
IUPAC: 1,4-dibromo-2-methylbenzene
English name: 2,5-Dibromotoluene
Molecular formula: C7H6Br2
Molecular weight: 249.93

Names & synonyms

2,5-DIBROMOTOLUENE615-59-81,4-Dibromo-2-methylbenzeneBenzene, 1,4-dibromo-2-methyl-Toluene, 2,5-dibromo-3,6-dibromotoluene2,5 DibromotolueneBAX67T68IKNSC 6222NSC-6222EINECS 210-437-01,4-DIBROMOTOLUENE

Show more names

2,5-dibromotulueneToluene,2,5-dibromo-2,5-Dibromotoluene>2,5-Dibromotoluene,99%2,5-Dibromotoluene 97%2,5-Dibromotoluene,97%f,5-DIBROMOTOLUENE, 98%2,5-Dibromotoluene ,98%

DTXSID1050389RefChem:444000DTXCID2029406210-437-0MFCD000000901,4-dibromo-2-methyl-benzene2,5-DIBROMO TOLUENENSC6222

Database identifiers

CAS: 615-59-8
PubChem CID: 12006
DTXSID: DTXSID1050389
UNII: BAX67T68IK
EC Number: 210-437-0
Nikkaji: J94.910H

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 92.9

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 5 · 5-6 °C (lit.)
Boiling point: 135 · 135-136 °C/35 mmHg (lit.)
Density: 1.815 g/mL · 1.815 g/mL at 25 °C (lit.)
refractive index: 1.601 · 1.601-1.603
Flash point: 110 °C · 110°C
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly)
form: Liquid
Specific Gravity: 1.815 · 1.815
color: Clear colorless to yellow
BRN: 1859123 · 1859123
InChI: 1S/C7H6Br2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey: QKEZTJYRBHOKHH-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (92.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (92.2%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 24/25-37/39-26
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,4-dibromo-2-methyl-: INACTIVE

Applications · 1 item

Uses2,5-Dibromotoluene has been used:as internal standard for quantification of cyanide and thiocyanate in human saliva by GC-MSin the preparation of 2,5-bis(4′-alkoxycarbonylphenyl)styrenes, monomers required for the synthesis of mesogen-jacketed liquid-crystal polymers