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Tosylmethyl isocyanide

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Name

Tosylmethyl isocyanide

EINECS 253-140-1
CAS No. 36635-61-7 Density 1.24 g/cm3
PSA 42.52000 LogP 1.95700
Solubility Insoluble in water Melting Point 109-113 °C(lit.)
Formula C9H9NO2S Boiling Point 400.9 °C at 760 mmHg
Molecular Weight 195.242 Flash Point 196.3 °C
Transport Information UN 2811 6.1/PG 3 Appearance Pale yellow to light brown crystalline powder
Safety 36/37-45-38-36/37/39-28A Risk Codes 23/24/25
Molecular Structure Molecular Structure of 36635-61-7 (Tosylmethyl isocyanide) Hazard Symbols ToxicT, IrritantXi
Synonyms

(4-Methylphenylsulfonyl)methylisocyanide;(p-Tolylsulfonyl)methyl isocyanide;4-Toluenesulfonylmethylisocyanide;4-Tolylsulfonylmethyl isocyanide;Isocyanomethyl p-tolyl sulfone;NSC 631633;TOSMIC;p-Toluenesulfonylmethyl isocyanide;p-Toluenesulfonylmethylisonitrile;p-Tosylmethyl isocyanide;p-Tosylmethylisonitrile;

Article Data 25

Tosylmethyl isocyanide Chemical Properties

IUPAC Name: 1-(Isocyanomethylsulfonyl)-4-methylbenzene
Molecular Formula: C9H9NO2S
Molecular Weight: 195.238260 g/mol
Melting Point: 109-113 °C(lit.)
Storage tempreture: -20 °C
Solubility: Insoluble in water
Sensitive: Moisture sensitive
Appearance: Pale yellow to light brown crystalline powder
Structure of Tosylmethyl isocyanide (CAS NO.36635-61-7):
                         
IUPAC Name: 1-(Isocyanomethylsulfonyl)-4-methylbenzene
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
InChI: InChI=1S/C9H9NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,7H2,1H3
InChIKey: CFOAUYCPAUGDFF-UHFFFAOYSA-N
Product Category of Tosylmethyl isocyanide (CAS NO.36635-61-7): Benzene derivatives;Boron, Nitrile, Thio,& TM-Cpds;Aliphatics;Sulfur Compounds (for Synthesis);Synthetic Organic Chemistry

Tosylmethyl isocyanide Uses

 Tosylmethyl isocyanide (CAS NO.36635-61-7) is an important pharmaceutical intermediate.

Tosylmethyl isocyanide Toxicity Data With Reference

 Tosylmethyl isocyanide (CAS NO.36635-61-7) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated.

Tosylmethyl isocyanide Safety Profile

Hazard Codes: T  ,Xi   
Risk Statements: 23/24/25
23/24/25:Toxic by inhalation, in contact with skin and if swallowed 
Safety Statements: 36/37-45-38-36/37/39-28A
36/37:Wear suitable protective clothing and gloves 
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
38:In case of insufficient ventilation, wear suitable respiratory equipment
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
F: 21
Hazard Note: Irritant
HazardClass: 6.1(b)
PackingGroup: III

Tosylmethyl isocyanide Specification

 Tosylmethyl isocyanide , its cas register number is 36635-61-7. It also can be called (p-Tolylsulfonyl)methyl isocyanide ; TosMIC ; Methylidyne{[(4-methylphenyl)sulfonyl]methyl}ammonium ; and Benzene, 1-((isocyanomethyl)sulfonyl)-4-methyl- . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, Tosylmethyl isocyanide (CAS NO.36635-61-7) is light and moisture sensitive. It is not compatible with strong oxidizing agents, strong acids, and you must not take it with incompatible materials, light, moisture, contact with water. And also prevent it to broken down into hazardous decomposition products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide.

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