2-クロロブタン

2-Chlorobutane

HCID 6563
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基本情報

CAS
78-86-4
標準SMILES
CCC(C)Cl
InChIKey
BSPCSKHALVHRSR-UHFFFAOYSA-N
分子式
C4H9Cl
平均分子量
92.57 g/mol
単同位体質量
92.039278

名称と識別子

優先名称
2-Chlorobutane
IUPAC
2-chlorobutane
現地名
2-クロロブタン
英語名
2-Chlorobutane
分子式
C4H9Cl
分子量
92.57

名称と別名

2-CHLOROBUTANE78-86-4sec-Butyl chlorideButane, 2-chloro-1-Methylpropyl chlorideDTXSID9023966AV999R2773DTXCID303966CHEBI:166855RefChem:86464201-151-72-Chloro-butane
名称をさらに表示
2-クロロブタン塩化SEC-ブチルsec-ブチルクロライド２クロロブタン塩化 sec-ブチルsec-ブチルクロリド2‐クロロブタン2-クロロブタン, 98+%sec-C4H9Cl2-Chlorbutan2-chloro-butan2-ButylchlorideButane,2-chloro-chlorosec-butanes-Butyl Chloride(2RS)-chlorobutane
MFCD00000871(+/-)-2-Chlorobutane1-chloro-1-methylpropaneEINECS 201-151-7BRN 1718770CCRIS 9391UNII-AV999R2773sec.-butyl chloride

データベース識別子

CAS
78-86-4
PubChem CID
6563
DTXSID
DTXSID9023966
ChEMBL
CHEMBL346529
ChEBI
CHEBI:166855
UNII
AV999R2773
EC Number
201-151-7
Nikkaji
J1.485K

物性

構造計算による物性

XLogP
2.3
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

実験および物理化学的性質

Density0.873 @25 °C
Boiling Point68.5 °C @760 [mm Hg]
Vapor Pressure157.0 [mmHg]
Physical Description · 2 件

Liquid

dl-Form: Liquid with a pleasant odor; [Merck Index] Clear colorless liquid; [Aldrich MSDS]

Kovats Retention Index · 2 件

598.38；598.87；598；601；601；601；601；600.4

611；589；582；586；588；591；599；609；616；589

物理化学的性質

融点
-140 °C · -140 °C (lit.)
沸点
68 · 68-70 °C (lit.)
比重(密度)
0.873 g/mL · 0.873 g/mL at 25 °C (lit.)
蒸気圧
160 hPa · 160 hPa (20 °C)
屈折率
20 · n20/D 1.396(lit.)
闪点
5 °F · 5 °F

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H290 (62.6%): May be corrosive to metals [Warning Corrosive to Metals]；H315 (11.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (62.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P234, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 187 reports by companies from 7 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.

危険有害性情報

Regulatory Information · 5 件

Chemical: Butane, 2-chloro-

Butane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5783

Butane, 2-chloro-: HSNO Approval: HSR001385 Approved with controls

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.)

Hazards SummaryMay cause irritation; [Aldrich MSDS] See 1,2-Dichlorobutane.
Hazard Classes and Categories · 2 件

Flam. Liq. 2 (100%)；Met. Corr. 1 (62.6%)；Skin Irrit. 2 (11.8%)；Eye Irrit. 2 (11.8%)；STOT SE 3 (11.8%)；Aquatic Chronic 3 (62.6%)

Flammable agents - 3rd degree

安全と保護具

Protective Action Criteria (PAC) · 3 件

5.2 [ppm]

57 [ppm]

340 [ppm]

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
EPA IRIS Information2-Chlorobutane
Toxicity DataLCLo (rat) = 8,000 ppm/4hr
EPA Provisional Peer-Reviewed Toxicity Values · 3 件

2-Chlorobutane

PDF Document

2005

法規制情報

Regulatory Information · 5 件

Chemical: Butane, 2-chloro-

Butane, 2-chloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butane, 2-chloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 09-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5783

Butane, 2-chloro-: HSNO Approval: HSR001385 Approved with controls

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.)

安全データ

wgk
2
tsca
TSCA listed
rtecs
EJ6475000
ridadr
UN 1127 3/PG 2
毒性
LD50 orally in Rabbit: 17400 mg/kg LD50 dermal Rabbit 17400 mg/kg
hs_code
29031980

化学と産業

用途と製造

UsesUsed in organic synthesis; [Hawley]
U.S. Production2023: 75,000 - <500,000 lb；2022: 500,000 - <1,000,000 lb；2021: 500,000 - <1,000,000 lb；2020: 500,000 - <1,000,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing；All Other Basic Inorganic Chemical Manufacturing

Butane, 2-chloro-: ACTIVE

応用分野

用途有機合成原料。

使用2-Chlorobutane is used as a solvent and intermediate in organic synthesis. Further, it is involved in the preparation of active pharmaceutical ingredients, plasticizer, rubber, resin and surfactants.

調製方法

純化方法Purify it in the same way as n-butyl chloride. [Beilstein 1 IV 248.]

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]

関連反応

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