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1,4-Dibromo-2,5-dimethoxybenzene

HCID 231240
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2674-34-2
Standard SMILES
COc1cc(Br)c(OC)cc1Br
InChIKey
CHCLRVOURKGRSW-UHFFFAOYSA-N
Molecular formula
C8H8Br2O2
Average molar mass
295.96 g/mol
Monoisotopic mass
293.8891037

Names & identifiers

Preferred name
1,4-Dibromo-2,5-dimethoxybenzene
IUPAC
1,4-dibromo-2,5-dimethoxybenzene
English name
1,4-Dibromo-2,5-dimethoxybenzene
Molecular formula
C8H8Br2O2
Molecular weight
295.96

Names & synonyms

1,4-Dibromo-2,5-dimethoxybenzene2674-34-2DTXSID00282647RefChem:73206DTXCID40233799629-351-3CHCLRVOURKGRSW-UHFFFAOYSA-NInChI=1/C8H8Br2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H2,5-DIBROMO-1,4-DIMETHOXYBENZENEMFCD000256941,4-dibromo-2,5-dimethoxy-benzene1,4-Dibromo-2,5-dimethoxybenzene, 97%
Show more names
1,4-Dimethoxy-2,5-dibromobenzene1,4-Diboromo-2,5-dimethoxybenzeneBenzene,1,4-dibromo-2,5-dimethoxy-1,4-Dibromo-2,5-dimethoxybenzene>1,4-Dibromo-2,5-dimethoxybenzene,99%1,4-Dibromo-2,5-dimethoxybenzene 97%1,4-Dibromo-2,5-dimethoxybenzene, 98+%
2,5-Dibromo-4-methoxyanisoleEN300-160240Benzene, 1,4-dibromo-2,5-dimethoxy-2,5-Dimethoxy-1,4-dibromobenzeneAMY41113NSC270131,4-Dibromo-2,5-dimethoxybenezene2,5-Dibromohydroquinone Dimethyl Ether

Database identifiers

CAS
2674-34-2
PubChem CID
231240
DTXSID
DTXSID00282647
EC Number
629-351-3
Nikkaji
J265.488A

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
127

Physicochemical properties

Melting point
144 · 144-149 °C (lit.)
Boiling point
290.3 · 290.3±35.0 °C(Predicted)
Density
2 · 2,24 g/cm3
refractive index
1.4947 · 1.4947 (estimate)
storage temp.
Sealed in dry,Room Temperature
form
powder to crystal
color
White to Almost white
Water Solubility
Insoluble in water.
BRN
1953103 · 1953103
InChI
InChI=1S/C8H8Br2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
InChIKey
CHCLRVOURKGRSW-UHFFFAOYSA-N
SMILES
C1(Br)=CC(OC)=C(Br)C=C1OC
CAS DataBase Reference
2674 · 2674-34-2(CAS DataBase Reference)
UNSPSC Code
12352100 · 12352100
NACRES
22 · NA.22
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338-P280a-P304+P340-P405-P501a
target organs
Respiratory system
PPE
95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
37 · 37/39-26-36
WGK Germany
3 · 3
Hazard Note
Irritant
HS Code
2909303890 · 2909303890
Storage Class
11 · 11 - Combustible Solids
Hazard Classifications
2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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 46 reports by companies from 6 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

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2909303890
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
safety_code
37/39-26-36
Storage Class
11 - Combustible Solids
target organs
Respiratory system
Hazard statements
H315-H319-H335
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements
P261-P305+P351+P338-P280a-P304+P340-P405-P501a

Chemistry & industry

Applications · 2 items

Uses1,4-Dibromo-2,5-dimethoxybenzene was used in the preparation of poly[(9,9-bis(6-(dibromohexyl)-2,7-fluorene))-alt-1,4-(2,5-dimethoxybenzene)], a water-soluble polyfluorene derivative.

General DescriptionCrystal structure of 1,4-dibromo-2,5-dimethoxybenzene has been reported to be monoclinic and its asymmetric unit is composed of one-half of the molecule. Lithium diisopropylamide (LDA) mediated metallation of 1,4-dibromo-2,5-dimethoxybenzene has been proposed.

Upstream & downstream products

Upstream raw materials

1,4-DimethoxybenzeneChloroform

Downstream products

2,5-dimethoxyterephthalohydrazide4-Bromo-2,5-dimethoxybenzaldehyde(4-BROMO-2,5-DIMETHOXYPHENYL)METHANOL

Suppliers100 total

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]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海萃森医药科技有限公司13472757003
上海相辉医药科技有限公司13761987713 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
上海竺钥化工有限公司021-33559231 18964673308 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
盐城奥科联合医药科技有限公司0515-89701588 13770166955 · [email protected]
武汉翱飞科技有限公司15841022315 · [email protected]
上海楷树化学科技有限公司021-51987688-803 18916626396 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
南京克迪特贸易有限公司025-52164950 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海玖巨化工科技有限公司021-54290889 18117093889;17717355955 · [email protected]

Related reactions

3 records
New reaction record
HRID 7196 reaction equation
HRID 7196As reactantuspto-grants-2006_08
HRID 7197 reaction equation
HRID 7197As reactantuspto-grants-2006_08
HRID 1473623 reaction equation
HRID 1473623As reactantuspto-grants-2015_04

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes