结构:CCC(C)Cl
HCID6563

2-Chlorobutane

C4H9Cl92.57 g/molCAS 78-86-4

IDENTITY

结构与身份

标准 SMILES
CCC(C)Cl
InChIKey
BSPCSKHALVHRSR-UHFFFAOYSA-N
分子式
C4H9Cl
平均分子量
92.57 g/mol
单同位素质量
92.039278

COMPUTED

结构计算性质

已同步
XLogP
2.3
极性表面积
0 Ų
氢键供体
0
氢键受体
0
可旋转键
1
重原子
5
形式电荷
0
复杂度
19

PROPERTIES

实验与物化性质

来源:PubChem
Density

0.873 @25 °C

Boiling Point

68.5 °C @760 [mm Hg]

Vapor Pressure

157.0 [mmHg]

Physical Description

Liquid

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

Kovats Retention Index

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

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

GHS

GHS 分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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 Summary

May cause irritation; [Aldrich MSDS] See 1,2-Dichlorobutane.

Hazard Classes and Categories

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

SAFETY

安全与防护

来源:PubChem
Protective Action Criteria (PAC)

5.2 [ppm]

57 [ppm]

340 [ppm]

TOXICITY

毒理信息

来源:PubChem
Adverse Effects

Neurotoxin - Acute solvent syndrome

EPA IRIS Information

2-Chlorobutane

Toxicity Data

LCLo (rat) = 8,000 ppm/4hr

EPA Provisional Peer-Reviewed Toxicity Values

2-Chlorobutane

PDF Document

2005

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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.)

USES

用途与制造

来源:PubChem
Uses

Used in organic synthesis; [Hawley]

U.S. Production

2023: 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 Uses

Intermediate

General Manufacturing Information

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

Butane, 2-chloro-: ACTIVE

ALIASES

名称与别名

51
2-CHLOROBUTANE78-86-4sec-Butyl chlorideButane, 2-chloro-1-Methylpropyl chlorideDTXSID9023966AV999R2773DTXCID303966CHEBI:166855RefChem:86464201-151-72-Chloro-butaneMFCD00000871(+/-)-2-Chlorobutane1-chloro-1-methylpropaneEINECS 201-151-7BRN 1718770CCRIS 9391UNII-AV999R2773sec.-butyl chloride

REACTIONS

参与反应

2
HRID944579

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 944579 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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