Benzene, 1-bromo-2,4-dimethyl-

HCID 68503CAS 583-70-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(Br)c(C)c1
InChIKey
YSFLQVNTBBUKEA-UHFFFAOYSA-N
Molecular formula
C8H9Br
Average molar mass
185.06 g/mol
Monoisotopic mass
183.98876239

Names & identifiers

Preferred name
Benzene, 1-bromo-2,4-dimethyl-
IUPAC
1-bromo-2,4-dimethylbenzene
English name
2,4-Dimethylbromobenzene
Molecular formula
C8H9Br
Molecular weight
185.06

Names & synonyms

1-Bromo-2,4-dimethylbenzene583-70-04-Bromo-m-xylene2,4-DimethylbromobenzeneBenzene, 1-bromo-2,4-dimethyl-1,3-Dimethyl-4-bromobenzenem-Xylene, 4-bromo-EINECS 209-517-8NSC 64734AI3-16900DTXSID1060398RefChem:562404
Show more names
4-Bromo-m-xylene,98%4-Bromo-m-xylene,97%4-BROMO-M-XYLENE 97%1-Bromo-2,4-dimethyL2,4-Dimethylbromoben4-Bromo-m-xylene >Phenacetin Impurity 34
m-Xylene, 4-bromo-(8CI)DTXCID6042363209-517-84-Bromo-1,3-dimethylbenzene1-bromo-2,4-dimethyl-benzeneMFCD000000714-brom-m-xylolNSC64734

Database identifiers

CAS
583-70-0
PubChem CID
68503
DTXSID
DTXSID1060398
EC Number
209-517-8
Nikkaji
J31.757H

Properties

Computed structural properties

XLogP
3.3
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
-17 °C · -17°C
Boiling point
214 °C · 214 °C(lit.)
Density
1.37 g/mL · 1.37 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.551(lit.)
Flash point
174 °F · 174 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

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

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-bromo-2,4-dimethyl-: INACTIVE

Applications

Uses4-Bromo-m-xylene is synthesized by the bromination of alkylbenzene substrates by N-bromosuccinimide.

General DescriptionGold-catalyzed coupling reaction of pyrazine with 1-bromo-2,4-dimethylbenzene has been reported. 1-Bromo-2,4-dimethylbenzene reacts with Mg and DMF, followed by the reaction with I2 and aq.NH3 to afford the corresponding aromatic nitrile.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

20 records
New reaction record

Linked notes

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