2,6-Dibromotoluene

HCID 34681

Notes Reactions

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Basic information

CAS: 69321-60-4
Standard SMILES: Cc1c(Br)cccc1Br
InChIKey: OCSKCBIGEMSDIS-UHFFFAOYSA-N
Molecular formula: C7H6Br2
Average molar mass: 249.93 g/mol
Monoisotopic mass: 247.88362439

Names & identifiers

Preferred name: 2,6-Dibromotoluene
IUPAC: 1,3-dibromo-2-methylbenzene
English name: 2,6-Dibromotoluene
Molecular formula: C7H6Br2
Molecular weight: 249.93

Names & synonyms

2,6-Dibromotoluene69321-60-4Benzene, 1,3-dibromo-2-methyl-DTXSID50219382RefChem:83151DTXCID70141873OCSKCBIGEMSDIS-UHFFFAOYSA-N1,3-Dibromo-2-methylbenzeneMFCD000135241,3-DIBROMO-2-METHYL-BENZENESCHEMBL1089731,3-Dibromo-2-methylbenzene #

Show more names

2,6-Second Bromotoluene2,6-Dibromotoluene, 98+%2,6-Dibromotoluene, 98.5%2,6-Dibromotoluene ISO 9001：2015 REACH

CL8815AKOS005259714CS-W008100GS-4492AC-25930SY017640SCHEMBL146104SCHEMBL457230

Database identifiers

CAS: 69321-60-4
PubChem CID: 34681
DTXSID: DTXSID50219382
EC Number: 680-918-1
Nikkaji: J308.938J

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 82.9

Physicochemical properties

Melting point: 2 · 2-6°C
Boiling point: 112 · 112-113°C 7mm
Density: 1 · 1,812 g/cm3
refractive index: 1.606 · 1.6060
Flash point: 112 · 112-113°C/7mm
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Colourless
BRN: 3235502 · 3235502
InChI: InChI=1S/C7H6Br2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey: OCSKCBIGEMSDIS-UHFFFAOYSA-N
SMILES: C1(Br)=CC=CC(Br)=C1C
CAS DataBase Reference: 69321 · 69321-60-4(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,6-Dibromotoluene(69321-60-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
Risk Statements: 36 · 36/37/38-36/38
Safety Statements: 26 · 26-36/37/39-37
HS Code: 29039990 · 29039990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29039990
risk_code: 36/37/38-36/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39-37
Hazard statements: H315-H319
Precautionary statements: P280g-P305+P351+P338

Chemistry & industry

Preparation methods

Preparation2,6-Dibromotoluene is an important pharmaceutical intermediate，It can be made from toluene using sulfonation and desulfonation as intermediate steps in the synthesis.