2-[(2-Chlorophenyl)methylene]propanedinitrile

Name	(2-chlorobenzylidene)malononitrile
Synonyms	CSGAS Alonitrile 2-Chlorobezylidenemalononitrile O-CHLOROBENZYLIDINEMALONONITRILE o-Chlorobenzylidene malononitrile (2-chlorobenzylidene)malononitrile (2-chlorobenzylidene)propanedinitrile (2-CHLOROPHENYL)METHYLENE]MALONONITRIL [(2-Chlorophenyl)Methylene]Malononitrile 2-[(2-chlorophenyl)methylene]malononitrile 2-[(2-Chlorophenyl)methylene]propanedinitrile 2-[(2-chlorophenyl)methylidene]propanedinitrile
CAS	2698-41-1
EINECS	220-278-9
InChI	InChI=1/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H

Molecular Formula	C10H5ClN2
Molar Mass	188.61
Density	1.2906 (rough estimate)
Melting Point	68-70°C(lit.)
Boling Point	126°C0.1mm Hg(lit.)
Flash Point	148°C
Water Solubility	0.1-0.5 g/100 mL at 16 ºC
Solubility	0.1-0.5 g/100 mL at 16°C
Vapor Presure	3 x 10-5 mmHg at 20 °C (NIOSH, 1997)
Appearance	White, crystalline solid
Color	White crystalline solid with a pepper-like odor
Exposure Limit	NIOSH REL: ceiling 0.05 ppm (0.4 mg/m3), IDLH 2 mg/m3; OSHA PEL: TWA0.05 ppm; ACGIH TLV: ceiling 0.05 ppm (adopted).
Storage Condition	2-8°C
Stability	Stable. Incompatible with strong oxidizing agents. Combustible.
Refractive Index	1.5500 (estimate)

Risk Codes	R36/37/38 - Irritating to eyes, respiratory system and skin. R42/43 - May cause sensitization by inhalation and skin contact. R25 - Toxic if swallowed
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S27 - Take off immediately all contaminated clothing. S37/39 - Wear suitable gloves and eye/face protection S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
UN IDs	UN 3448 6.1/PG 2
WGK Germany	3
RTECS	OO3675000
Hazard Class	6.1(a)
Packing Group	I
Toxicity	LD50 in rats (mg/kg): 28 i.v., 48 i.p.; LC50 in rats: 88,480 mg/min/m3 (Ballantyne, Swanston)

NIST chemical information	Information provided by: webbook.nist.gov (external link)
EPA chemical information	Information provided by: ofmpub.epa.gov (external link)
category	toxic substances
toxicity classification	highly toxic
acute toxicity	oral-rat LD50: 178 mg/kg; Oral-mouse LD50: 282 mg/kg
stimulation data	skin-rabbit 12%/6 hours mild; Eye-rabbit 1 mg mild
flammability hazard characteristics	flammability; thermal decomposition discharges toxic nitrogen oxides, chloride smoke
storage and transportation characteristics	warehouse is ventilated and dry at low temperature; Store separately from food raw materials and oxidants; Special personnel manage
fire extinguishing agent	fog, carbon dioxide, foam, dry powder
occupational standard	TWA 0.4 mg/m3; CL 0.4 mg/m3 (skin)
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)
immediate life-threatening and health concentration	2 mg/m3