Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看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
- 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
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
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
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
Protective Action Criteria (PAC)
5.2 [ppm]
57 [ppm]
340 [ppm]
TOXICITY
毒理信息
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
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
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
REACTIONS
参与反应
uspto-grants-1976_01 · 10.6084/m9.figshare.5104873.v1 · US03931348
查看