2,3-Dichlorobenzonitrile - CAS 6574-97-6

Name: 2,3-Dichlorobenzonitrile
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032808
Product Name:	2,3-Dichlorobenzonitrile
CAS:	6574-97-6
Synonyms:	2,3-dichlorobenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	2,3-dichlorobenzonitrile
Description:	2,3-Dichlorobenzonitrile (CAS# 6574-97-6) is a useful research chemical.
Molecular Weight:	172.01
Molecular Formula:	C7H3Cl2N
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)Cl)C#N
InChI:	InChI=1S/C7H3Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChI Key:	OHDYZVVLNPXKDX-UHFFFAOYSA-N
Boiling Point:	253.1 °C at 760 mmHg
Melting Point:	62-65 °C
Purity:	95 %
Density:	1.4 g/cm³
Appearance:	White powder.
MDL:	MFCD00016372
LogP:	2.86508

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[1354706-05-0]C6H9BrN2
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[158387-00-9]C9H11N3O
3-Oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

GHS Hazard Statement:	H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113144921-A	Super-hydrophilic composite membrane suitable for oil-water separation in severe environment and preparation method thereof	20210223
CN-112625233-A	High molecular weight crystalline poly (arylene ether nitrile) and preparation method thereof	20201020
CN-112028408-A	Advanced treatment method and system for aromatic and heterocyclic compound wastewater	20200916
CN-212425814-U	Advanced treatment system for aromatic and heterocyclic compound wastewater	20200916
CN-111454167-A	Method for synthesizing 4- (trifluoromethyl) 2, 4-pentadiene amide	20200507

PMID	Publication Date	Title	Journal
18200858	20071215	The partitioning of PAHs to egg phospholipids facilitated by copper and proton binding via cation-pi interactions	Environmental science & technology
15181211	20040601	Interaction between wall deposition and cell elongation in dark-grown hypocotyl cells in Arabidopsis	Plant physiology
12805631	20030601	Tensile properties of Arabidopsis cell walls depend on both a xyloglucan cross-linked microfibrillar network and rhamnogalacturonan II-borate complexes	Plant physiology
11732056	20010101	Wall architecture in the cellulose-deficient rsw1 mutant of Arabidopsis thaliana: microfibrils but not microtubules lose their transverse alignment before microfibrils become unrecognizable in the mitotic and elongation zones of roots	Protoplasma

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.9642545
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.9642545
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9