4-(2-Nitrovinyl)-1H-indole - CAS 49839-99-8

Catalog:	BB053734
Product Name:	4-(2-Nitrovinyl)-1H-indole
CAS:	49839-99-8
Synonyms:	4-(2-NITROVINYL)-1H-INDOLE 99; 4-(2-Nitrovinyl)indole; 4-(2-NITROVINYL)-1H-INDOLE; 4-(2-Nitrovinyl)-1H-indole 99%; Indole-4-nitrylethylene

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-[(E)-2-nitroethenyl]-1H-indole
Molecular Weight:	188.18
Molecular Formula:	C10H8N2O2
Canonical SMILES:	C1=CC(=C2C=CNC2=C1)C=C[N+](=O)[O-]
InChI:	InChI=1S/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H/b7-5+
InChI Key:	DQVWAEMRCAYLKH-FNORWQNLSA-N
Boiling Point:	406.1±20.0 °C at 760 mmHg
Melting Point:	161-163°C
Purity:	95%
Density:	1.4±0.1 g/cm3
Appearance:	Solid

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1884330-89-5]
1-Methyl-1H-indole-5-D
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[2642-37-7]
Indoxyl sulfate potassium salt
[20776-45-8]
5-Benzyloxytryptamine
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene

GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	188.058577502
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	61.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3