(2-Chlorobenzylidene)malononitrile

Basic Information

View in Editor

CAS Number

2698-41-1

Molecular Formula

C10H5ClN2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

95 ºC

Boiling Point

310-315 ºC

Water Solubility

0.1-0.5 g/100 mL at 16 ºC

Refractive Index

1.5500 (estimate)

SMILES

View in Editor

C1=CC=C(C(=C1)C=C(C#N)C#N)Cl

InChI

InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H

InChIKey

JJNZXLAFIPKXIG-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

283

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

H317 May cause an allergic skin reaction
Sensitization, Skin

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Incompatible with strong oxidizing agents. Combustible.

Toxicity

LD50 in rats (mg/kg): 28 i.v., 48 i.p.; LC50 in rats: 88,480 mg/min/m3 (Ballantyne, Swanston)

Synonyms & References

English

(2-chlorobenzylidene)propanedinitrile
2-Chloro BMN
BDBM50327657
2-((2-CHLOROPHENYL)METHYLENE)PROPANEDINITRILE
WLN: NCYCN&U1R BG
Q209357
NSC 542
NCI-C55118
CS-0095253
Propanedinitrile, ((2-chlorophenyl)methylene)-
O-CHLOROBENZYLIDENEMALONONITRILE [MI]
chlorobenzylidenemalononitrile
CS (lacrimator)
beta,beta-Dicyano-o-chlorostyrene
(o-Chlorobenzal)malononitrile
2-Chlorobenzylidene malonitrile
MFCD00019784
HSDB 4346
2-Chlorobenzylidenemalononitrile
2-(2-Chlorobenzylidene)malononitrile #
(o-Chlorobenzylidene)malonitrile
(2-Chlorobenzylidene)malononitrile
TL 238
CS gas (lacrimator)
[(2-chlorophenyl)methylene]malononitrile; ((2-chlorophenyl)methylene)propanedinitrile
2-Chlorobenzylidene malononitrile
AM84860
Propanedinitrile, [(2-chlorophenyl)methylene]
o-Chlorobenzalmalonitrile
Propanedinitrile, [(2-chlorophenyl)methylene]-
NSC-637336

MDL Number

MFCD00019784

Customs Code

2926909090

FAQ

What is (2-Chlorobenzylidene)malononitrile (CAS: 2698-41-1)?

(2-Chlorobenzylidene)malononitrile, also known as chlorobenzylidenemalononitrile, is a colorless or white crystalline solid with a CAS number of 2698-41-1. It is characterized by its aromatic odor and is used in various industrial applications and research due to its chemical properties.

What are the main uses of (2-Chlorobenzylidene)malononitrile (CAS: 2698-41-1)?

(2-Chlorobenzylidene)malononitrile has applications in the synthesis of pharmaceuticals and dyes. It is also used as a reagent in organic chemistry for various reactions such as alkylation and acylation. Additionally, it is employed in the production of certain agrochemicals and in research for its unique chemical properties.

Is (2-Chlorobenzylidene)malononitrile (CAS: 2698-41-1) safe?

(2-Chlorobenzylidene)malononitrile is generally considered safe under normal handling conditions when appropriate precautions are taken. However, it is important to avoid contact with skin and eyes, and to ensure proper ventilation during use. Protective equipment such as gloves and goggles should be worn. Ingestion or inhalation should be avoided, and it is advisable to store the compound in a closed container away from heat and open flames.

How should (2-Chlorobenzylidene)malononitrile (CAS: 2698-41-1) be stored?

(2-Chlorobenzylidene)malononitrile should be stored in a cool, dry place away from heat and sources of ignition. It should be kept in a tightly sealed container to prevent exposure to moisture and light. When storing, it is recommended to maintain a temperature below 25°C and avoid direct sunlight or high humidity to ensure the stability and safety of the compound.