111910

2-Chlorotoluene

99%

• 동의어(들): 1-chloro-2-methylbenzene
• Linear Formula: CH₃C₆H₄Cl
• CAS Number: 95-49-8
• Molecular Weight: 126.58
• Beilstein: 1904175
• EC Number: 202-424-3
• MDL number: MFCD00000562
• UNSPSC 코드: 12352100
• eCl@ss: 39050205
• PubChem Substance ID: 24847049
• NACRES: NA.22

속성

• vapor density: 4.38 (vs air)
• Quality Level: 100
• vapor pressure: 10 mmHg ( 43 °C)
• 분석: 99%
• 양식: liquid
• refractive index: n20/D 1.525 (lit.)
• bp: 157-159 °C (lit.)
• mp: −36 °C (lit.)
• solubility: H₂O: soluble
• density: 1.083 g/mL at 25 °C (lit.)
• 작용기: chloro
• SMILES string: Cc1ccccc1Cl
• InChI: 1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
• InChI key: IBSQPLPBRSHTTG-UHFFFAOYSA-N

설명

일반 설명

2-Chlorotoluene can be mineralized completely by Rhodococcus, strain OCT 10 DSM 45596(T). It is used in the preparation of 3-chloro-4-methylcatechol and 4-chloro-3-methylcatechol. The oxidation of 2-chlorotoluene is very well catalyzed by the enzymes: toluene dioxygenase of P. putida F1 and chlorobenzene dioxygenase from Burkholderia, strain PS12.

애플리케이션

2-Chlorotoluene can be used as a precursor to synthesize aryl coupling products via palladium-catalyzed Negishi cross-coupling. It can also be used in the Buchwald-Hartwig amination to synthesize arylamines.

안전성 정보

• 픽토그램: GHS02,GHS08,GHS07,GHS09
• 신호어: Warning
• 유해 및 위험 성명서: H226,H332,H361d,H410
• 예방조치 성명서: P202 - P210 - P233 - P273 - P304 + P340 + P312 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Inhalation - Aquatic Acute 1 - Aquatic Chronic 2 - Flam. Liq. 3 - Repr. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 2
• Flash Point (°F): 109.4 °F - closed cup
• Flash Point (°C): 43 °C - closed cup
• 개인 보호 장비: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter