2-Fluoro-β-nitrostyrene - CAS 399-25-7

Name: 2-Fluoro-β-nitrostyrene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024206
Product Name:	2-Fluoro-β-nitrostyrene
CAS:	399-25-7
Synonyms:	1-fluoro-2-[(E)-2-nitroethenyl]benzene

Technical Data

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Computed Properties

IUPAC Name:	1-fluoro-2-[(E)-2-nitroethenyl]benzene
Description:	2-Fluoro-β-nitrostyrene (CAS# 399-25-7) is a useful research chemical.
Molecular Weight:	167.14
Molecular Formula:	C8H6FNO2
Canonical SMILES:	C1=CC=C(C(=C1)C=C[N+](=O)[O-])F
InChI:	InChI=1S/C8H6FNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H/b6-5+
InChI Key:	NKZSNHAEWKEFNE-AATRIKPKSA-N
Boiling Point:	254.5 °C at 760 mmHg
Melting Point:	55-57 °C
Purity:	95 %
Density:	1.276 g/cm³
LogP:	2.59630

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Related Functional Groups

Fluorinated Building Blocks

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]C7H6F2
2,4-Difluorotoluene

Halides

[1855911-19-1]C7H13BrClN3
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[4860-03-1]C16H33Cl
1-Chlorohexadecane
[1431970-24-9]C8H14ClF2N3
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[1936054-65-7]C11H9Cl2N
2,4-Dichloro-3,6-dimethylquinoline
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[1192570-20-9]C11H15F3N4O
2-Morpholino-2-(2-(trifluoromethyl)pyrimidin-5-yl)ethanamine
[932236-53-8]C12H9ClN4
3-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-amine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111116613-A	Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof	20191213
CN-111116613-B	Polysubstituted benzimidazole thiazole and derivative and synthesis method thereof	20191213
CN-110627725-A	4-substituted 5-difluoromethyl-3-nitro-1H-pyrazole compound and preparation method and application thereof	20191014
EP-3214079-A1	Six-membered ring benzo derivatives as dpp-4 inhibitor and use thereof	20141031
US-2017313715-A1	Six-membered ring benzo derivatives as dpp-4 inhibitor and use thereof	20141031

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	167.0382566
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.0382566
Rotatable Bond Count:	1
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3