Isobutyl chloride (HCID 10554)

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 Å²
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 · 2 件

Relative density (water = 1): 0.9

0.881 @ 20°C

SolubilitySolubility in water: none

物理化学的性質

融点: -131 °C · -131 °C (lit.)
沸点: 68 · 68-69 °C (lit.)
比重(密度): 0.883 g/mL · 0.883 g/mL at 25 °C (lit.)
蒸気圧: 161 hPa · 161 hPa (20 °C)
屈折率: 20 · n20/D 1.398(lit.)
闪点: 70 °F · 70 °F
貯蔵温度: 2 · 2-8°C
溶解性: 2 O: · H2O: 不溶
外見: Liquid
色: Colorless to Almost colorless
爆発限界(explosive limit): 2 · 2.0-8.8%(V)
水溶解度: 28 mg/l · 28mg/l (20℃)
Merck: 14 · 14,5138
BRN: 635650 · 635650
Henry's Law Constant: 8.3 · 8.3×10-3 mol/(m3Pa) at 25℃, Mackay and Shiu (1981)
Dielectric constant: 7.1 · 7.1(20℃)
InChI: 1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey: QTBFPMKWQKYFLR-UHFFFAOYSA-N
SMILES: CC(C)CCl
表面張力: 22.31 mN/m · 22.31mN/m at 293.15K
CAS データベース: 513 · 513-36-0(CAS DataBase Reference)
NISTの化学物質情報: 1 · Propane, 1-chloro-2-methyl-(513-36-0)
EPAの化学物質情報: 1 · Propane, 1-chloro-2-methyl- (513-36-0)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

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 · 4 件

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.

安全と保護具

Fire FightingUse powder, AFFF, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 件

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Refer for medical attention .

Safe StorageFireproof. Separated from powdered metals and strong oxidants.

Spillage Disposal · 1 件

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Do NOT wash away into sewer. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Eye PreventionWear safety spectacles.

Fire Prevention · 1 件

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Prevent build-up of electrostatic charges (e.g., by grounding). Do NOT use compressed air for filling, discharging, or handling.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1127 3/PG 2
hs_code: 29031990
risk_code: 11
化審法: (2)-60
消防法: 危-4-1-II
hazard_code: F
safety_code: 16-9-33-29
hazard_class: 3
packing_group: II
自然発火温度: 395 °C
Hazard Classifications: Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

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.