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3,4-Dibromobenzaldehyde

HCID 622053
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
74003-55-7
Standard SMILES
O=Cc1ccc(Br)c(Br)c1
InChIKey
UTYRZXNEFUYFCJ-UHFFFAOYSA-N
Molecular formula
C7H4Br2O
Average molar mass
263.91 g/mol
Monoisotopic mass
261.86288895

Names & identifiers

Preferred name
3,4-Dibromobenzaldehyde
IUPAC
3,4-dibromobenzaldehyde
English name
3,4-Dibromobenzaldehyde
Molecular formula
C7H4Br2O
Molecular weight
263.91

Names & synonyms

3,4-Dibromobenzaldehyde74003-55-7DTXSID40347481RefChem:91003DTXCID70298553640-122-7UTYRZXNEFUYFCJ-UHFFFAOYSA-NBenzaldehyde, 3,4-dibromo-MFCD002360333,4-DIBROMO-BENZALDEHYDESCHEMBL870202FD7321
Show more names
3,4-Dibrom benzaldehyde3,4-Dibromobenzaldehyde99%1,2-Dibromo-4-formylbenzene3,4-Dibromobenzaldehyde 99%
AKOS015891096CS-W012456PS-7345SY059440EN300-99736BCP27251AM62562BIPHENYL-3-CARBOXYLICACIDHYDRAZIDE

Database identifiers

CAS
74003-55-7
PubChem CID
622053
DTXSID
DTXSID40347481
EC Number
104-292-1、640-122-7
Nikkaji
J2.235.196F

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
127

Physicochemical properties

Melting point
67 · 67-69°C
Boiling point
303.6 · 303.6±27.0 °C(Predicted)
Density
1.977 · 1.977±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
form
powder
color
Off-white
Water Solubility
Insoluble in water.
Sensitive
Air Sensitive
BRN
2573433 · 2573433
CAS DataBase Reference
74003 · 74003-55-7(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes
Xi
Risk Statements
36 · 36/37/38

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
2913000090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant/Air Sensitive
safety_code
26-36
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses3,4-Dibromobenzaldehyde is used in the preparation of isomeric branched pi-conjugated system with terminal alkyne by reacting with 4-(triisopropylsilylethynyl) phenylacetylene.

Upstream & downstream products

Upstream raw materials

(3,4-Dibromo-phenyl)-methanol4-Bromo-3-nitro-benzaldehyde4-Bromobenzaldehyde

Downstream products

1,4-Benzodioxan-6-carboxaldehyde

Suppliers93 total

阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海策嵘生物科技有限公司[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]

Related reactions

13 records
New reaction record
HRID 40578 reaction equation
HRID 40578As reactantuspto-grants-2013_09
HRID 99883 reaction equation
HRID 99883As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 304474 reaction equation
HRID 304474As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 478300 reaction equation
HRID 478300As reactantuspto-grants-2003_11
HRID 650518 reaction equation
HRID 650518As reactantuspto-grants-2001_08
HRID 1275813 reaction equation
HRID 1275813As reactantuspto-grants-2000_12
HRID 1360986 reaction equation
HRID 1360986As reactantuspto-grants-2011_02
HRID 1590396 reaction equation
HRID 1590396As reactantuspto-grants-1993_04
Page 1 of 2

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Safety Statements
26 · 26-36
Hazard Note
Irritant/Air Sensitive
HS Code
2913000090 · 2913000090
Changzhou Anxuan Chemical Co., Ltd
+86-0519-89882563 +86-18961279162 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [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]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
安徽合诺生物科技有限公司18455579438
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected];[email protected];[email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
天津津御达化工科技有限公司022-58013646 13011382049 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [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]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
南京熙朗化工产品有限公司18936048580 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
常州鹏森福生物科技有限公司18961173882 · [email protected]
上海策嵘生物科技有限公司(定制合成实验室)13062833949 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]