N-Benzyl-N-butyl-N'-(3-chloro-2-methoxyphenyl)urea structure

3D Mol Similar

N-Benzyl-N-butyl-N'-(3-chloro-2-methoxyphenyl)urea

Iupac Name：triethylsilicon

CAS No.：617-86-7

Molecular Weight：115.2688

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1. Names and Identifiers

1.1 Name: N-Benzyl-N-butyl-N'-(3-chloro-2-methoxyphenyl)urea
1.2 Synonyms: 1-benzyl-1-(n-butyl)-3-(2-methoxy-3-chlorophenyl)urea ACMC-20l9wy CHEMBL311142 CTK3B1471 DTXSID60547885 Urea, N-butyl-N'-(3-chloro-2-methoxyphenyl)-N-(phenylmethyl)-

1.3 CAS No.: 617-86-7

1.4 CID: 6327258

1.5 Molecular Formula: C₁₉H₂₃ClN₂O₂ (isomer)

1.6 Inchi: InChI=1S/C6H15Si/c1-4-7(5-2)6-3/h4-6H2,1-3H3

1.7 InChkey: QXTIBZLKQPJVII-UHFFFAOYSA-N

1.8 Canonical Smiles: CC[Si](CC)CC

1.9 Isomers Smiles: CC[Si](CC)CC

2. Properties

3.1 Melting point: -157°C

3.1 Refractive index: 1.41-1.412

3.1 Vapour pressure: >1 hPa (20 °C)

3.1 Precise Quality: 116.10200

3.1 PSA: 0.00000

3.1 logP: 2.27320

3. Safety and Handling

4.1 Symbol: GHS02

4.1 Signal Word: Danger

4.1 Risk Statements: R11;R36/37/38

4.1 Safety Statements: S16;S26;S37/39

4.1 Packing Group: II

4.1 Hazard Class: 3

4.1 Hazard Declaration: H225-H412

4.1 RIDADR: UN 1993 3/PG 2

4.1 Caution Statement: P210-P273

4.1 WGK Germany: 1

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H225 Highly flammable liquid and vapour H412 Harmful to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish.
Storage	P403+P235 Store in a well-ventilated place. Keep cool.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight：115.2688g/mol
Molecular Formula：C_₁₉H_₂₃ClN_₂O_₂
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：115.094302013
Monoisotopic Mass：115.094302013
Complexity：25.7
Rotatable Bond Count：3
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：7
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

6. Question & Answer

Applications of Triethylsilane Jan 29 2021
Triethylsilane serves as an exemplar for organosilicon hydride behavior as a mild reducing agent. It is frequently chosen as a synthetic reagent because of its availability, convenient physical properties, and economy relative to other organosilicon hydrides which might otherwise be suitable for ef...

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