HCID12369

1-Bromoheptane

C7H15Br179.1 g/molCAS 629-04-9

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IDENTITY

结构与身份

标准SMILES: CCCCCCCBr
InChIKey: LSXKDWGTSHCFPP-UHFFFAOYSA-N
分子式: C7H15Br
平均分子量: 179.1 g/mol
单同位素质量: 178.03571

COMPUTED

结构计算性质

已同步

XLogP: 4.4
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 5
重原子: 8
形式电荷: 0
复杂度: 35

PROPERTIES

实验与物化性质

来源：PubChem

Vapor Pressure

1.27 [mmHg]

Physical Description

Colorless liquid; [Alfa Aesar MSDS]

Kovats Retention Index

1031；1067；1030；1027.6；1027

1036；1036.2；1018；1042；1061；1040；1029

1262；1266；1252；1262；1268；1282；1256

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (11.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (11.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 62 reports by companies from 5 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: Heptane, 1-bromo-

Status: No longer Valid Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24257

Heptane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary

Intraperitoneal LD50 (mouse) = 2,440 mg/kg; [RTECS] An irritant; [Alfa Aesar MSDS] See 2-Bromopentane.

Hazard Classes and Categories

Flam. Liq. 3 (100%)；Skin Irrit. 2 (11.3%)；Eye Irrit. 2A (11.3%)

TOXICITY

毒理信息

来源：PubChem

Adverse Effects

Neurotoxin - Acute solvent syndrome

Toxicity Data

LC50 (mouse) = 12,000 mg/m3/2hr

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Chemical: Heptane, 1-bromo-

Status: No longer Valid Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24257

Heptane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

USES

用途与制造

来源：PubChem

General Manufacturing Information

Heptane, 1-bromo-: ACTIVE

ALIASES

名称与别名

共 45 条

1-BROMOHEPTANE629-04-9Heptyl bromiden-Heptyl bromideHeptane, 1-bromo-bromoheptane1-bromo-heptaneMFCD00000273BR10731-Bromo heptaneNSC 7315EINECS 211-068-8heptylbromide1bromoheptanebromo-heptanen-heptylbromide1-heptylbromidebromomethylhexane1 -bromoheptane1-Bromo-heptane; 1-Heptyl Bromide; Heptyl Bromide; NSC 7315; n-Heptyl Bromide

REACTIONS