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2,4-Dichloro-1-(2-nitrophenoxy)benzene

HCID 775975
NotesReactions

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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
38461-29-9
Standard SMILES
O=[N+]([O-])c1ccccc1Oc1ccc(Cl)cc1Cl
InChIKey
UZUWTTGSBGJFLV-UHFFFAOYSA-N
Molecular formula
C12H7Cl2NO3
Average molar mass
284.09 g/mol
Monoisotopic mass
282.9802985

Names & identifiers

Preferred name
2,4-Dichloro-1-(2-nitrophenoxy)benzene
IUPAC
2,4-dichloro-1-(2-nitrophenoxy)benzene
English name
2,4-Dichloro-1-(2-nitrophenoxy)benzene
Molecular formula
C12H7Cl2NO3
Molecular weight
284.09

Names & synonyms

2,4-Dichloro-1-(2-nitrophenoxy)benzene38461-29-9EINECS 253-952-6DTXSID20191782RefChem:82316DTXCID60114273253-952-6Oprea1_033477SCHEMBL640965SCHEMBL29052548SCHEMBL30392319MFCD00506394
Show more names
2’,4’-Dichloro-2-nitrodiphenylether2,4-Dichlorophenyl 2-nitrophenyl etherBenzene, 2,4-dichloro-1-(2-nitrophenoxy)-
AKOS0010155611-(2,4-dichlorophenoxy)-2-nitrobenzene2- Nitro-2',4'-dichloro-diphenylether2,4-Dichloro-1-(2-nitro-phenoxy)-benzeneNS00030394SR-01000423534SR-01000423534-1Z31210042

Database identifiers

CAS
38461-29-9
PubChem CID
775975
DTXSID
DTXSID20191782
EC Number
253-952-6
Nikkaji
J60.225F

Properties

Computed structural propertiesFilling in

XLogP
4.6
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
298

Physicochemical properties

Melting point
57 · 57-58 °C(Solv: cyclohexane (110-82-7))
Boiling point
355.8 · 355.8±37.0 °C(Predicted)
Density
1.451 · 1.451±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C

Chemistry & industry

Suppliers14 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海相辉医药科技有限公司[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-(0)57185586718 +86-13336195806 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
重庆卡兰医药有限公司[email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

10 records
New reaction record
HRID 170774 reaction equation
HRID 170774As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 446855 reaction equation
HRID 446855As productuspto-grants-2013_07
HRID 446856 reaction equation
HRID 446856As reactantuspto-grants-2013_07
HRID 938733 reaction equation
HRID 938733As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1136481 reaction equation
HRID 1136481As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1140578 reaction equation
HRID 1140578As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1642218 reaction equation
HRID 1642218As productuspto-grants-2012_02
HRID 1642219 reaction equation
HRID 1642219As reactantuspto-grants-2012_02
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Compound notes

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