HCID8140

1-Bromooctane

C8H17Br193.12 g/molCAS 111-83-1

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IDENTITY

结构与身份

标准SMILES: CCCCCCCCBr
InChIKey: VMKOFRJSULQZRM-UHFFFAOYSA-N
分子式: C8H17Br
平均分子量: 193.12 g/mol
单同位素质量: 192.05136

COMPUTED

结构计算性质

已同步

XLogP: 4.9
极性表面积: 0 Å²
氢键供体: 0
氢键受体: 0
可旋转键: 6
重原子: 9
形式电荷: 0
复杂度: 43

PROPERTIES

实验与物化性质

Density

1.11 @25 °C

Boiling Point

201.5 °C @760 [mm Hg]

Melting Point

-55 °C

Vapor Pressure

0.34 [mmHg]

Physical Description

Colorless liquid; [Merck Index]

Kovats Retention Index

1138；1118；1119；1121；1122；1124；1126；1129；1130；1132；1133；1133；1132.5；1132

1136.2；1119；1142；1132

1368；1373；1351；1364；1365；1385

GHS

GHS分类

GHS Classification

Warning

H400 (98.8%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (95.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 12 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: Octane, 1-bromo-

Status: Active Update: 15-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17679

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

Hazards Summary

Oral LD50 (rat) = 4,490 uL/kg; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See 1-Bromohexane.

Hazard Classes and Categories

Aquatic Acute 1 (98.8%)；Aquatic Chronic 1 (95.7%)

SAFETY

安全与防护

Protective Action Criteria (PAC)

15 [mg/m3]

170 [mg/m3]

990 [mg/m3]

REGULATORY

法规信息

Regulatory Information

Chemical: Octane, 1-bromo-

Status: Active Update: 15-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17679

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

USES

用途与制造

Uses

Used in organic syntheses; [Merck Index]

General Manufacturing Information

Octane, 1-bromo-: ACTIVE

ALIASES

名称与别名

共 73 条

1-Bromooctane111-83-1n-Octyl bromideOctyl bromide1-OctylbromideOctane, 1-bromo-1-Bromo-octanebromooctanen-octylbromide1-octyl bromideMFCD00000276DTXSID3021938Q382HPC6LC1-?Bromooctane(Octyl Bromide)NSC-9821Octane, bromo-1219803-37-88-bromooctane1-Bromo octaneNSC 9821

REACTIONS