1-クロロ-2-メチルプロパン
Isobutyl chloride
基本情報
- CAS
513-36-0- 標準SMILES
CC(C)CCl- InChIKey
QTBFPMKWQKYFLR-UHFFFAOYSA-N- 分子式
- C4H9Cl
- 平均分子量
- 92.57 g/mol
- 単同位体質量
- 92.03927797
名称と識別子
- 優先名称
- Isobutyl chloride
- IUPAC
- 1-chloro-2-methylpropane
- 現地名
- 1-クロロ-2-メチルプロパン
- 英語名
- 1-Chloro-2-methylpropane
- 分子式
- C4H9Cl
- 分子量
- 92.57
名称と別名
1-Chloro-2-methylpropaneISOBUTYL CHLORIDEPropane, 1-chloro-2-methyl-iso-C4H9ClUNII-95E08D17M7EINECS 208-157-995E08D17M72-CHLOROMETHYLPROPANE2-METHYLPROPYL CHLORIDEISOBUTYL CHLORIDE [MI]DTXSID40601532-METHYL-1-CHLOROPROPANE
名称をさらに表示
1-クロロ-2-メチルプロパン１－クロロ－２メチルプロパン塩化ISO-ブチル塩化イソブチルイソブチルクロリド1‐クロロ‐2‐メチルプロパン3-CHLORO-2-METHYLPROPANEChloroisobutaneIsobutylchlorid1-CHLOROISOBUTANEiso-Chloro-butaneChloro-2-MethylpropCHLORO-2-METHYLPROPANE
UN11271Chloro2methylpropanePropane, 1chloro2methylRefChem:149078DTXCID7040996QTBFPMKWQKYFLR-UHFFFAOYSA-N513-36-01-chloro-2-methyl-propane
データベース識別子
- CAS
513-36-0- PubChem CID
- 10554
- DTXSID
DTXSID4060153- ChEMBL
CHEMBL160966- UNII
- 95E08D17M7
- EC Number
- 208-157-9
- Nikkaji
- J2.619K
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 17.6
実験および物理化学的性質
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Chlorinated Aliphatics
SpringerMaterials PropertiesSchoenflies notation
LogP2.39
Density
Relative density (water = 1): 0.9
0.881 @ 20°C
SolubilitySolubility in water: none
Flash Point-10 °C
Boiling Point
69 °C
68.8 °C @760 [mm Hg]
Melting Point-131 °C
Vapor DensityRelative vapor density (air = 1): 3.2
Vapor Pressure150.0 [mmHg]
Physical Description
Colorless liquid; [ICSC]
COLOURLESS LIQUID.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.2% (2 of 165) of reports.
Danger
H225 (98.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 165 reports by companies from 4 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Propane, 1-chloro-2-methyl-
Status: Active Update: 13-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20738
1-Chloro-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire HazardsHighly flammable. Gives off irritating or toxic fumes (or gases) in a fire. Vapour/air mixtures are explosive.
Hazards SummaryNo listed effects of short-term or long-term exposure; [ICSC] An irritant; [Alfa Aesar MSDS] See n-Butyl chloride.
UN ClassificationUN Hazard Class: 3; UN Pack Group: II
Chemical DangersDecomposes on burning. This produces toxic and corrosive fumes including hydrogen chloride (see ICSC 0163) and phosgene (see ICSC 0007). Reacts violently with strong oxidants and powdered metals. This generates fire and explosion hazard.
Physical DangersThe vapour is heavier than air and may travel along the ground; distant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated.
化学と産業
用途と製造
General Manufacturing InformationPropane, 1-chloro-2-methyl-: ACTIVE
応用分野
使用1-Chloro-2-methylpropane is used to prepare an organometllic compound, isobutyllithium by reacting with lithium using petroleum ether as a solvent.
一般的な説明The gas-solid virial co-effiicent of 1-chloro-2-methylpropane was determined. The infrared and Raman spectra of 1-chloro-2-methylpropane was studied.
調製方法
純化方法Use the same methods as described under isoamyl chloride.[Beilstein 1 IV 287.]
上流・下流製品情報
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