2-Amino-3,5-dinitrothiophene - CAS 2045-70-7

Catalog:	BB015986
Product Name:	2-Amino-3,5-dinitrothiophene
CAS:	2045-70-7
Synonyms:	3,5-dinitrothiophen-2-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3,5-dinitrothiophen-2-amine
Description:	2-Amino-3,5-dinitrothiophene (CAS# 2045-70-7) is used in preparation of high-dye-uptake-rate disperse dye compound for hydrophobic fiber and fabric dyeing.
Molecular Weight:	189.15
Molecular Formula:	C4H3N3O4S
Canonical SMILES:	C1=C(SC(=C1[N+](=O)[O-])N)[N+](=O)[O-]
InChI:	InChI=1S/C4H3N3O4S/c5-4-2(6(8)9)1-3(12-4)7(10)11/h1H,5H2
InChI Key:	DZRZHFOFVWAKGT-UHFFFAOYSA-N
Boiling Point:	422 °C at 760 mmHg
Density:	1.803 g/cm³
Appearance:	Dark yellow fine powder
MDL:	MFCD00100126
LogP:	2.77430

Publication Number	Title	Priority Date
CN-110128199-A	A kind of colour anticaking agent, preparation method and applications	20190523
KR-102132556-B1	Black disperse dye composition having high color fastness to washing without the effects of metamerism	20190328
CN-107189487-A	Monoazo thiazole a pair of horses going side by side triazole disperse dyes and preparation method thereof	20170619
CN-107189487-B	Monoazo thiazole a pair of horses going side by side triazole disperse dyes and preparation method thereof	20170619
CN-105820596-B	A kind of tetrahydro chinolines dyestuff, ink and electric moistening display	20160422

PMID	Publication Date	Title	Journal
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Related Functional Groups

Thiophenes

[38401-73-9]
5-(3-Nitrophenyl)-2-thiophenecarbaldehyde
[934080-82-7]
5-[(3,4-Dimethylphenoxy)methyl]thiophene-2-carboxylic acid
[1263280-02-9]
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate
[113387-75-0]
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate
[851176-37-9]
2-Morpholino-2-(2-thienyl)ethylamine
[63273-26-7]
5-(Bromomethyl)-2-thiophenecarboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	211
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.98442676
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	188.98442676
Rotatable Bond Count:	0
Topological Polar Surface Area:	146 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8