Benzene, 1-bromo-3,5-dimethyl-

HCID 136357CAS 556-96-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C)cc(Br)c1
InChIKey
LMFRTSBQRLSJHC-UHFFFAOYSA-N
Molecular formula
C8H9Br
Average molar mass
185.06 g/mol
Monoisotopic mass
183.98876239

Names & identifiers

Preferred name
Benzene, 1-bromo-3,5-dimethyl-
IUPAC
1-bromo-3,5-dimethylbenzene
English name
5-Bromo-m-xylene
Molecular formula
C8H9Br
Molecular weight
185.06

Names & synonyms

5-Bromo-m-xylene556-96-7Benzene, 1-bromo-3,5-dimethyl-DTXSID00204142RefChem:562408DTXCID00126633629-686-51-Bromo-3,5-dimethylbenzene3,5-Dimethylbromobenzene1-bromo-3,5-dimethyl-benzenem-Xylene, 5-bromo-5-BROMO-META-XYLENE
Show more names
5-Bromo-1,3-xylene5-Bromo-m-xyL5-BROMOMETAXYLENE3,5-Xylyl bromide5-Bromo-m-xylene>5-Bromo-m-xylene,98%
MFCD000000871,3-Dimethyl-5-bromobenzeneSCHEMBL2497691-Bromo-3,5-dimethylbenzene, 97%AC-9668EN300-238241-bromo-3 , 5-dimethylbenzene5 -bromo-m-xylene

Database identifiers

CAS
556-96-7
PubChem CID
136357
DTXSID
DTXSID00204142
EC Number
629-686-5
Nikkaji
J31.755A

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point
-20.49 °C · -20.49°C (estimate)
Boiling point
202 · 202-204 °C(lit.)
Density
1.362 g/mL · 1.362 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.549(lit.)
Flash point
189 °F · 189 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98.7%): 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 78 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (98.7%)

Safety data

wgk
3
hs_code
29036990
risk_code
36/37/38-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 4 items

Uses5-Bromo-m-xylene has been used in the synthesis of substituted 2,2′-bis(diphenylphosphanylmethyl)-1,1′-binaphthyl derivatives.

Uses5-Bromo-m-xylene is used in the preparation of substituted 2,2'-bis(diphenylphosphanylmethyl)-1,1'-binaphthyl derivatives. It is also used to prepare o-tolyl-3,5-xylyl ether by reacting with o-cresol. Further, it is an organic building block used in the synthesis of various chemicals as well as in the preparation of tri-o-tolylphosphine.

Uses1-Bromo-3,5-dimethylbenzene has been used in the synthesis of substituted 2,2′-bis(diphenylphosphanylmethyl)-1,1′-binaphthyl derivatives.

General DescriptionPalladium catalyzed carbon-oxygen coupling of 1-bromo-3,5-dimethylbenzene and o-cresol to potassium hydroxide to produce o-tolyl-3,5-xylyl ether has been reported.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
杭州创引化工科技有限公司0571-87086220 13516718938 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

142 records
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Linked notes

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