CAS 576-22-7 2-Bromo-m-xylene (HCID 68471)

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Basic information

CAS: 576-22-7
Standard SMILES: Cc1cccc(C)c1Br
InChIKey: MYMYVYZLMUEVED-UHFFFAOYSA-N
Molecular formula: C8H9Br
Average molar mass: 185.06 g/mol
Monoisotopic mass: 183.98876239

Names & identifiers

Preferred name: 2-Bromo-m-xylene
IUPAC: 2-bromo-1,3-dimethylbenzene
English name: 2-Bromo-m-xylene
Molecular formula: C8H9Br
Molecular weight: 185.06

Names & synonyms

2-Bromo-m-xylene2-Bromo-1,3-dimethylbenzeneRefChem:467120209-397-7576-22-72,6-Dimethylbromobenzene1-Bromo-2,6-dimethylbenzeneBenzene, 2-bromo-1,3-dimethyl-m-Xylene, 2-bromo-2,6-Dimethyl bromobenzene2-bromo-1,3-dimethyl-benzeneMFCD00000075

Show more names

2-Brom-m-xylol2-bromo-m-xylen2,6-benzene bromide2-Bromo-m-xylene >2-Bromo-m-xylene, 98+%

2-Bromo-meta-xylene2,6-dimethylbrombenzene2,6-dimethyl-bromobenzeneCS-W009028PB477892,6-Dimethylphenyl bromideBRN 1929780EINECS 209-397-7

Database identifiers

CAS: 576-22-7
PubChem CID: 68471
DTXSID: DTXSID30206230
EC Number: 209-397-7
Nikkaji: J54.868E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 80.6

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point: 10 °C · −10 °C(lit.)
Boiling point: 206 °C · 206 °C(lit.)
Density: 1.389 g/mL · 1.389 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.555(lit.)
Flash point: 165 °F · 165 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Soluble in aqueous solution. Very soluble in ethanol, soluble in acetone and benzene.
form: Liquid
color: Clear colorless to yellow
Specific Gravity: 1.389 · 1.389
BRN: 1929780 · 1929780
InChI: InChI=1S/C8H9Br/c1-6-4-3-5-7(2)8(6)9/h3-5H,1-2H3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98%): 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 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.