![[(2-Chlorophenyl)methylene]malononitrile structure, CAS 2698-41-1](/structures/40000/2698-41-1.gif)
CAS Number2698-41-1
Synonyms(2-chlorobenzylidene)propanedinitrile; β,β-Dicyano-o-chlorostyrene; 2-Chlorobenzylidenemalononitrile; o-Chlorobenzalmalononitrile; ortho-chlorophenylmethylene-malononitrile; EINECS 220-278-9; [(2-chlorophenyl)methylidene]propanedinitrile; b,b-Dicyano-o-chlorostyrene; o-Chlorobenzylidenemalonic nitrile; Alonitrile; [(2-Chlorophenyl)methylene]malononitrile; (2-Chlorobenzylidene)malononitrile; 2-chlorobenzalmalononitrile; MFCD00134407; 2-(2-chlorophenylmethylene)malononitrile; CS (lacrimator); ortho-chlorobenzalmalononitrile; Propanedinitrile, [(2-chlorophenyl)methylene]; 2-(2-chlorophenyl)-1,1-dicyanoethylene; 2-(2-Chlorobenzylidene)malononitrile; [(2-Chlorophenyl)methylene]propanedinitrile; (o-Chlorobenzylidene)malononitrile; 2-Chlorobmn
Molecular FormulaC10H5N2Cl1
Molecular Weight188.62
Purity98.00%
Density1.3±0.1 g/cm3
Boiling Point312.5±0.0 °C at 760 mmHg
Melting Point95ºC
AppearanceWhite crystalline solid with a spicy odor
EINECS220-278-9
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2698-41-1 |
| Catalog No. | 2A-9028917 |
| Chinese Name | 邻氯亚苄基丙二腈 |
| Synonyms | (2-chlorobenzylidene)propanedinitrile; β,β-Dicyano-o-chlorostyrene; 2-Chlorobenzylidenemalononitrile; o-Chlorobenzalmalononitrile; ortho-chlorophenylmethylene-malononitrile; EINECS 220-278-9; [(2-chlorophenyl)methylidene]propanedinitrile; b,b-Dicyano-o-chlorostyrene; o-Chlorobenzylidenemalonic nitrile; Alonitrile; [(2-Chlorophenyl)methylene]malononitrile; (2-Chlorobenzylidene)malononitrile; 2-chlorobenzalmalononitrile; MFCD00134407; 2-(2-chlorophenylmethylene)malononitrile; CS (lacrimator); ortho-chlorobenzalmalononitrile; Propanedinitrile, [(2-chlorophenyl)methylene]; 2-(2-chlorophenyl)-1,1-dicyanoethylene; 2-(2-Chlorobenzylidene)malononitrile; [(2-Chlorophenyl)methylene]propanedinitrile; (o-Chlorobenzylidene)malononitrile; 2-Chlorobmn |
| Molecular Formula | C10H5N2Cl1 |
| Molecular Weight | 188.62 |
| Purity | 98.00 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 312.5±0.0 °C at 760 mmHg |
| Melting Point | 95ºC |
| Appearance | White crystalline solid with a spicy odor |
| Water Solubility | 0.1-0.5 g/100 mL at 16 ºC |
| Storage Condition | The warehouse is ventilated and dry at low tempera |
| Packaging | I |
| EINECS | 220-278-9 |
| HTC | 2926909090 |
| UN(IATA) | UN 2647 |
| PubChem ID | 67440 |
| MDL Number | MFCD00019784 |
| SMILES | N#CC(C#N)=Cc1ccccc1Cl |
| InChI | InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H |
| InChI Key | JJNZXLAFIPKXIG-UHFFFAOYSA-N |
| Hazard Symbols | 6.1(a) |
| MSDS | msds/28917_1_2698_41_1.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular weight:188.6 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Malononitrile, o-chlorobenzylidene- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C10-H5-Cl-N2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : NCYCN&U1R BG HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Human - man TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Human - man TYPE OF TEST : Open irritation test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat TYPE OF TEST : Open irritation test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - rabbit TYPE OF TEST : Open irritation test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - guinea pig TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration into the eye SPECIES OBSERVED : Rodent - guinea pig TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - conjunctive irritation Lungs, Thorax, or Respiration - cough Lungs, Thorax, or Respiration - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - gastritis TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation Kidney, Ureter, Bladder - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 32320 ug/kg TOXIC EFFECTS : Immunological Including Allergic - decrease in humoral immune response TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 47700 ug/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Mammal - dog DOSE/DURATION : TOXIC EFFECTS : Lungs, Thorax, or Respiration - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - other changes Skin and Appendages - hair TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 32065 ug/kg TOXIC EFFECTS : Blood - other changes TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - other changes Skin and Appendages - hair TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Lungs, Thorax, or Respiration - acute pulmonary edema Blood - hemorrhage TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - other changes Skin and Appendages - hair TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Related to Chronic Data - death TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Endocrine - changes in thymus weight Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Related to Chronic Data - death TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Sense Organs and Special Senses (Olfaction) - effect, not otherwise specified Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Liver - changes in liver weight Endocrine - changes in thymus weight Immunological Including Allergic - decrease in humoral immune response TYPE OF TEST : TCLo - Lowest published toxic concentration ROUTE OF EXPOSURE : Inhalation SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) MUTATION DATA TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Rodent - hamster Lung REFERENCE : Safety Information Hazard Codes T:Toxic; RIDADR UN 2647 WGK Germany 3 RTECS OO3675000 Packaging Group I Hazard Class 6.1(a) HS Code 2926909090 Synthetic Route 2-Chlorobenzaldehyde CAS#:89-98-5 Malononitrile CAS#:109-77-3 CAS#:2698-41-1 Literature: Kalbasi, Roozbeh Javad; Mosaddegh, Neda Catalysis Communications, 2011 , vol. 12, # 13 p. 1231 - 1237 2-Chlorobenzaldehyde CAS#:89-98-5 Acetophenone CAS#:98-86-2 Malononitrile CAS#:109-77-3 CAS#:2698-41-1 Literature: Shaterian, Hamid Reza; Honarmand, Moones; Oveisi, Ali Reza Monatshefte fur Chemie, 2010 , vol. 141, # 5 p. 557 - 560 2-Chlorobenzoic acid CAS#:118-91-2 CAS#:2698-41-1 Literature: Harrison; Inch; Lawston; Ley; Sainsbury Journal of Labelled Compounds and Radiopharmaceuticals, 1978 , vol. 14, # 1 p. 141 - 148 Precursor & DownStream Precursor 5 CAS#:89-98-5 2-Chlorobenzaldehyde CAS#:109-77-3 Malononitrile CAS#:98-86-2 Acetophenone CAS#:118-91-2 2-Chlorobenzoic acid DownStream 9 CAS#:111861-47-3 3-amino-1-(2-ch... CAS#:141996-40-9 2-[(2-chlorophe... CAS#:28989-25-5 3-CHLORO-5-(2-C... CAS#:23773-23-1 1,1,2,2-Cyclopr... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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