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1,2-Dichloro-3,5-dinitrobenzene

HCID 11020901
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
2213-80-1
Standard SMILES
O=[N+]([O-])c1cc(Cl)c(Cl)c([N+](=O)[O-])c1
InChIKey
UDZACPYKQWPMBC-UHFFFAOYSA-N
Molecular formula
C6H2Cl2N2O4
Average molar mass
236.99 g/mol
Monoisotopic mass
235.9391619

Names & identifiers

Preferred name
1,2-Dichloro-3,5-dinitrobenzene
IUPAC
1,2-dichloro-3,5-dinitrobenzene
English name
1,2-Dichloro-3,5-dinitrobenzene
Molecular formula
C6H2Cl2N2O4
Molecular weight
237

Names & synonyms

1,2-Dichloro-3,5-dinitrobenzene2213-80-1Benzene, 1,2-dichloro-3,5-dinitro-MFCD004655791,2-dichloro-4,6-dinitro-benzene1,2-dichloro-3,5-dinitro-benzeneSCHEMBL496363SCHEMBL909601SCHEMBL31264960DTXSID30452215UDZACPYKQWPMBC-UHFFFAOYSA-NAKOS028112005
Show more names
1,2-DICHLORO-3,5-DINITROBENZENE(WS201477)
AS-61874DB-092808W17021F818327

Database identifiers

CAS
2213-80-1
PubChem CID
11020901
DTXSID
DTXSID30452215
Nikkaji
J80.428B

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
91.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
251

Physicochemical properties

Melting point
56 °C · 56 °C
Boiling point
318.2 · 318.2±37.0 °C(Predicted)
Density
1.729 · 1.729±0.06 g/cm3(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

2-Chloro-4,6-dinitroaniline

Suppliers19 total

上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
北京建强伟业科技有限公司(FUSION弗珍试剂品牌)0531-88924771 15614660963 · [email protected]
上海策嵘生物科技有限公司(定制合成实验室)13062833949 · [email protected]
南京麦瑞米生物技术有限公司025-87782433 18021532344 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
苏州孚伊洛生物科技有限公司0512-87819718 18912655635 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海珂华生物科技有限公司

Related reactions

10 records
New reaction record
HRID 174700 reaction equation
HRID 174700As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 286321 reaction equation
HRID 286321As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 426003 reaction equation
HRID 426003As reactantuspto-grants-2012_01
HRID 831546 reaction equation
HRID 831546As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1120332 reaction equation
HRID 1120332As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1609374 reaction equation
HRID 1609374As reactantuspto-grants-1995_03
HRID 1609375 reaction equation
HRID 1609375As reactantuspto-grants-1995_03
HRID 1609376 reaction equation
HRID 1609376As reactantuspto-grants-1995_03
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
021-58581007 18019463053 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
湖南秉航新材料有限公司0731-85567275 19313119732 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
上海暄霖医药科技有限公司13955239259;18901805360 · [email protected]