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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
ApplicationsUses: Occupational exposures can occur during the manufacturing and formulation of OCBM for a riot control agent, [NIOSH Guidelines for Chemical Hazards], IT IS USED PRIMARILY AS AN INCAPACITATING AGENT, BOTH BY MILITARY & LAW ENFORCEMENT PERSONNEL. IT CAN BE DISSEMINATED IN BURNING GRENADES & WEAPON-FIRED PROJECTILES, AS AN AEROSOL FROM THE FINELY DIVIDED SOLID CHEMICAL, OR FROM A SOLUTION OF THE CHEMICAL DISSOLVED IN METHYLENE CHLORIDE OR ACETONE., Riot control agent., ... lachrymatory chemical used for self-defense devices., CS is a sensory irritant whose moderate degree of toxicity has led to its use as a riot, adversary control agent. Major exposure symptoms include eye irritation, conjunctivitis, excess lacrimation, blepharospasm, burning sensation in the nose and throat, chest tightness, sneezing and coughing, stinging or burning sensations on the exposed skin and possible skin sensitization., Methods of Manufacturing: o-Chlorobenzaldehyde + malononitrile (carbonyl condesation), Prepn: B.B. Corson, R.W. Stoughton, J Am Chem Soc 50: 2825 (1928), Formulations, Preparations: Available both unground and ground with 5% silica aerogel or treated Cab-O-Sil., General Manufacturing Information: Propanedinitrile, 2-[(2-chlorophenyl)methylene]-: ACTIVE
CategoryOrganic Chemicals

Applications

Documented applications: Uses: Occupational exposures can occur during the manufacturing and formulation of OCBM for a riot control agent, [NIOSH Guidelines for Chemical Hazards], IT IS USED PRIMARILY AS AN INCAPACITATING AGENT, BOTH BY MILITARY & LAW ENFORCEMENT PERSONNEL. IT CAN BE DISSEMINATED IN BURNING GRENADES & WEAPON-FIRED PROJECTILES, AS AN AEROSOL FROM THE FINELY DIVIDED SOLID CHEMICAL, OR FROM A SOLUTION OF THE CHEMICAL DISSOLVED IN METHYLENE CHLORIDE OR ACETONE., Riot control agent., ... lachrymatory chemical used for self-defense devices., CS is a sensory irritant whose moderate degree of toxicity has led to its use as a riot, adversary control agent. Major exposure symptoms include eye irritation, conjunctivitis, excess lacrimation, blepharospasm, burning sensation in the nose and throat, chest tightness, sneezing and coughing, stinging or burning sensations on the exposed skin and possible skin sensitization., Methods of Manufacturing: o-Chlorobenzaldehyde + malononitrile (carbonyl condesation), Prepn: B.B. Corson, R.W. Stoughton, J Am Chem Soc 50: 2825 (1928), Formulations, Preparations: Available both unground and ground with 5% silica aerogel or treated Cab-O-Sil., General Manufacturing Information: Propanedinitrile, 2-[(2-chlorophenyl)methylene]-: ACTIVE.

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.

What are the documented applications of o-Chlorobenzylidene malononitrile?

Recorded applications: Uses: Occupational exposures can occur during the manufacturing and formulation of OCBM for a riot control agent, [NIOSH Guidelines for Chemical Hazards], IT IS USED PRIMARILY AS AN INCAPACITATING AGENT, BOTH BY MILITARY & LAW ENFORCEMENT PERSONNEL. IT CAN BE DISSEMINATED IN BURNING GRENADES & WEAPON-FIRED PROJECTILES, AS AN AEROSOL FROM THE FINELY DIVIDED SOLID CHEMICAL, OR FROM A SOLUTION OF THE CHEMICAL DISSOLVED IN METHYLENE CHLORIDE OR ACETONE., Riot control agent., ... lachrymatory chemical used for self-defense devices., CS is a sensory irritant whose moderate degree of toxicity has led to its use as a riot, adversary control agent. Major exposure symptoms include eye irritation, conjunctivitis, excess lacrimation, blepharospasm, burning sensation in the nose and throat, chest tightness, sneezing and coughing, stinging or burning sensations on the exposed skin and possible skin sensitization., Methods of Manufacturing: o-Chlorobenzaldehyde + malononitrile (carbonyl condesation), Prepn: B.B. Corson, R.W. Stoughton, J Am Chem Soc 50: 2825 (1928), Formulations, Preparations: Available both unground and ground with 5% silica aerogel or treated Cab-O-Sil., General Manufacturing Information: Propanedinitrile, 2-[(2-chlorophenyl)methylene]-: ACTIVE.

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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