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o-Chlorobenzylidene malononitrile

CAS 2698-41-1C10H5ClN2MW 188.61

o-Chlorobenzylidene malononitrile (CAS 2698-41-1) — formula C10H5ClN2, molecular weight 188.61; category organic chemicals.

Product Overview

CAS Number2698-41-1
Molecular FormulaC10H5ClN2
Molecular Weight188.61
Melting Point203 °F (NTP, 1992)
Boiling Point590 to 599 °F at 760 mmHg (NTP, 1992)
LogP2.3
CategoryOrganic Chemicals

Technical Profile

What this product is

o-Chlorobenzylidene malononitrile is a carbon-based organic compound with CAS registry number 2698-41-1 and molecular formula C10H5ClN2 (molecular weight 188.61), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 2698-41-1

Its molecular formula C10H5ClN2 comprises 10 C, 5 H, 1 Cl, 2 N atoms.

Also known as: o-Chlorobenzylidene malononitrile · 2-氯苯亚甲基丙二腈

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of o-Chlorobenzylidene malononitrile?

The CAS registry number of o-Chlorobenzylidene malononitrile is 2698-41-1.

What is the molecular formula and molecular weight of o-Chlorobenzylidene malononitrile?

Molecular formula C10H5ClN2, molecular weight 188.61.

What other names is o-Chlorobenzylidene malononitrile known by?

It is also registered under: o-Chlorobenzylidene malononitrile, 2-氯苯亚甲基丙二腈.

Which category does o-Chlorobenzylidene malononitrile belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for o-Chlorobenzylidene malononitrile (CAS 2698-41-1), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号2698-41-1
PubChem CID17604
分子式C10H5ClN2
IUPAC 名称2-[(2-chlorophenyl)methylidene]propanedinitrile
UNII(FDA)D8317IAV7Q

Computed descriptors

Molecular Weight188.61
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass188.0141259
Monoisotopic Mass188.0141259
Topological Polar Surface Area47.6
Heavy Atom Count13

Physicochemical values on record

Boiling Point590 to 599 °F at 760 mmHg (NTP, 1992)
Boiling Point310-315 °C
Boiling Point590-599 °F
Boiling Point313 °C @760 [mm Hg]
Melting Point203 °F (NTP, 1992)
Melting Point95-96 °C
Melting Point93-96 °C
Melting Point203-205 °F
Melting Point95 °C
Solubility1 to 5 mg/mL at 61 °F (NTP, 1992)

Synonyms and trade names

2698-41-1; 2-Chlorobenzylidenemalononitrile; o-Chlorobenzylidenemalononitrile; o-Chlorobenzylidene malononitrile; CS (lacrimator); 2-CHLOROBENZALMALONONITRILE; USAF KF-11; (o-Chlorobenzal)malononitrile; o-Chlorobenzylidenemalonic nitrile; (o-Chlorobenzylidene)malononitrile; NCI-C55118; Malononitrile, (o-chlorobenzylidene)-; chlorobenzylidenemalononitrile; beta,beta-Dicyano-o-chlorostyrene; ortho-Chlorobenzylidene malononitrile; Propanedinitrile, ((2-chlorophenyl)methylene)-

GHS hazard classification

已通报的危害声明H301 (98.5%), H315 (30.8%), H317 (92.3%), H319 (30.8%), H330 (29.2%), H334 (63.1%), H335 (30.8%), H400 (90.8%)

What the public record says

2-氯苯亚甲基丙二腈 · CAS 2698-41-1 · C10H5ClN2. UNII D8317IAV7Q. Boiling Point: 590 to 599 °F at 760 mmHg (NTP, 1992); Boiling Point: 310-315 °C; Boiling Point: 590-599 °F.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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中文页面: 2-氯苯亚甲基丙二腈

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