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Furan, 2-[(1E)-2-nitroethenyl]-

HCID 12781
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
32782-45-9
Standard SMILES
O=[N+]([O-])C=Cc1ccco1
InChIKey
WVUICGOYGDHVBH-UHFFFAOYSA-N
Molecular formula
C6H5NO3
Average molar mass
139.11 g/mol

Names & identifiers

Preferred name
Furan, 2-[(1E)-2-nitroethenyl]-
IUPAC
2-(2-nitroethenyl)furan
English name
1-(2-Furyl)-2-nitroethylene
Molecular formula
C6H5NO3
Molecular weight
139.11

Names & synonyms

Furan, 2-[(1E)-2-nitroethenyl]-2-[(1E)-2-nitroethenyl]furannitrovinylfuranMFCD000306002-(2-nitrovinyl)-furanSCHEMBL1027247SCHEMBL11429331WVUICGOYGDHVBH-UHFFFAOYSA-NHBA78245AKOS030230563SB61076SY076936
Show more names
2-(2-Nitrovinyl)furan1-(2-Furyl)-2-nitroethylene
DB-018435

Database identifiers

CAS
32782-45-9、699-18-3
PubChem CID
12781
EC Number
838-865-9

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
59 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Formal charge
0
Complexity
150

Experimental & physicochemical properties

LogP1.56

Physicochemical properties

Melting point
72 · 72-75 ºC
Boiling point
222.7 · 222.7±15.0 °C(Predicted)
Density
1.27 · 1.270±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger
Hazard statements
335 · H335-H315-H318-H302
Precautionary statements
264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

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

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H335-H315-H318-H302
Precautionary statements
P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Suppliers12 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
杭州陶瑞生物科技有限公司QQ1259737804 15268198094 · [email protected]
Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
重庆卡兰医药有限公司[email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]

Related reactions

10 records
New reaction record
HRID 26152 reaction equation
HRID 26152As reactantuspto-grants-1979_04
HRID 113536 reaction equation
HRID 113536As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 259467 reaction equation
HRID 259467As reactantuspto-grants-1977_07
HRID 596511 reaction equation
HRID 596511As reactantuspto-grants-1977_03
HRID 670059 reaction equation
HRID 670059As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1242638 reaction equation
HRID 1242638As productuspto-grants-2006_10
HRID 1526445 reaction equation
HRID 1526445As productuspto-grants-2015_07
HRID 1801531 reaction equation
HRID 1801531As productuspto-grants-2013_01
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Compound notes

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