Pentane, 3-chloro-3-methyl-
Grundinformationen
- CAS
918-84-3- Standard-SMILES
CCC(C)(Cl)CC- InChIKey
SGWJUIFOPCZXMR-UHFFFAOYSA-N- Summenformel
- C6H13Cl
- Durchschnittliche Molmasse
- 120,62 g/mol
- Monoisotopische Masse
- 120,0705781
Namen und Bezeichner
- Bevorzugter Name
- Pentane, 3-chloro-3-methyl-
- IUPAC
- 3-chloro-3-methylpentane
- Englischer Name
- 3-CHLORO-3-METHYLPENTANE
- Summenformel
- C6H13Cl
- Molmasse
- 120.62
Namen und Synonyme
3-Chloro-3-methylpentane918-84-3Pentane, 3-chloro-3-methyl-DTXSID80238703RefChem:859896DTXCID90161194627-006-1Diethylmethylcarbinyl chloride3-chloro-3-methyl-pentaneMFCD000008193-Methyl-3-chloropentaneSCHEMBL665337
Weitere Namen anzeigen
Pentane,3-chloro-3-methyl-3-Chloro-3-methylpentane 97%diethylmethylcarbinylchloride1-ethyl-1-methylpropylchloride
SCHEMBL78728611-Ethyl-1-methylpropyl chloride1-methyl-1-ethyl-propyl chloride3-Chloro-3-methylpentane, 97%AKOS015916539AS-88476SY293512
Datenbank-Bezeichner
- CAS
918-84-3- PubChem CID
- 136701
- DTXSID
DTXSID80238703- EC Number
- 627-006-1
- Nikkaji
- J101.079D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 46
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
839；840；841
939；944；956
Physikochemische Eigenschaften
- Schmelzpunkt
- -35.1 °C · -35.1°C (estimate)
- Siedepunkt
- 115 · 115-116 °C/760 mmHg (lit.)
- Dichte
- 0.885 g/mL · 0.885 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.4211(lit.)
- Flammpunkt
- 49 °F · 49 °F
- Aggregatzustand
- liquid
- InChI
- 1S/C6H13Cl/c1-4-6(3,7)5-2/h4-5H2,1-3H3
- InChIKey
- SGWJUIFOPCZXMR-UHFFFAOYSA-N
- SMILES
- CCC(C)(Cl)CC
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1993 3/PG 2
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3.1
- packing_group
- II
Chemie und Industrie
Anwendungen
Verwenden3-Chloro-3-methylpentane(3C3MP) has structure similar to tertiary chloride groups which are formed as structural defects during the radical polymerization of vinyl chloride (VC). Therefore, 3C3MP is an ideal model compound to study if tertiary chloride defect present in commercial PVC can be active initiating species for metal-catalyzed living radical graft copolymerization. 3C3MP can also be used as a reactant to prepare chloro(1-ethyl-1-methylpropyl)magnesium (Grignard reagent), which is used in the Kumada–Tamao–Corriu coupling reaction.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter15 Anbieter
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京大唐医药科技有限公司025-84341491 13951930983 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
上海阿拉丁生化科技股份有限公司
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