[(R)-1-ブロモエチル]ベンゼン

(1-Bromoethyl)benzene

HCID 11454

基本情報

CAS
1459-14-9
標準SMILES
CC(Br)c1ccccc1
InChIKey
CRRUGYDDEMGVDY-UHFFFAOYSA-N
分子式
C8H9Br
平均分子量
185.06 g/mol
単同位体質量
183.98876239

概要

RN given refers to parent cpd

名称と識別子

優先名称
(1-Bromoethyl)benzene
IUPAC
1-bromoethylbenzene
現地名
[(R)-1-ブロモエチル]ベンゼン
英語名
(+)-[(R)-1-Bromoethyl]benzene
分子式
C8H9Br
分子量
185.06

名称と別名

(1-BROMOETHYL)BENZENE585-71-71-Phenylethyl bromideBenzene, (1-bromoethyl)-1-Phenethyl bromidealpha-Methylbenzyl bromide1-Phenyl-1-bromoethanealpha-Phenylethyl bromidealpha-Phenethyl bromide(alpha-Bromoethyl)benzeneIG89OQ6Y85NSC-8052
名称をさらに表示
(+)-[(R)-1-ブロモエチル]ベンゼン[(R)-1-ブロモエチル]ベンゼン[(R)-1-Bromoethyl]benzene[(1R)-1-Bromoethyl]benzene(+)-[(R)-1-Bromoethyl]benzeneBenzene, [(1R)-1-bromoethyl]-[(R)-1-Bromoethyl]benzene,99%e.e.
DTXSID70883448RefChem:68120DTXCID501022979209-560-21-bromoethylbenzene1-Bromo-1-phenylethane1-(1-bromoethyl)benzene.alpha.-Methylbenzyl bromide

データベース識別子

CAS
1459-14-9、585-71-7
PubChem CID
11454
DTXSID
DTXSID70883448
UNII
IG89OQ6Y85
EC Number
209-560-2
Nikkaji
J95.605H

物性

構造計算による物性

XLogP
2.9
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
9

実験および物理化学的性質

Chemical ClassesOther Classes -> Halogenated Monoaromatics
Density · 3 件

Density = 1.356

DENSITY:1.3605 @ 20 °C/4 °C /DL/

SPECIFIC OPTICAL ROTATION: +15 @ 14 °C/D; DENSITY: 1.3108 @ 23 DEG /D FORM/

Solubility · 3 件

SOL IN ALC & ETHER /DL & D FORMS/

SOL IN BENZENE /DL FORM/

INSOL IN WATER /D FORM/

Flash Point · 2 件

96 °C

205 °F

Boiling Point · 2 件

94 °C at 16 mm Hg

BP: 202-203 °C @ 760 MM HG /DL/

Melting Point-65 °C

物理化学的性質

融点
-20.49 °C · -20.49°C (estimate)
沸点
203.05 °C · 203.05°C
比重(密度)
1.3108 · 1.3108
屈折率
1.5612 · 1.5612

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Fire PotentialFIRE HAZARD: MODERATE, WHEN EXPOSED TO HEAT OR FLAME.
Hazards SummaryIsomer of (2-Bromoethyl)benzene; Emergency medical treatment: see Lacrimators; [HSDB] A skin and severe eye irritant; May cause lacrimation; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Hazardous Reactivities and IncompatibilitiesDANGEROUS...IT CAN REACT WITH OXIDIZING MATERIALS.

安全と保護具

Fire Fighting ProceduresWATER, FOAM, CARBON DIOXIDE, WATER SPRAY OR MIST, DRY CHEM...
Storage Conditions · 1 件

STORAGE & HANDLING: ...MATERIALS WHICH ARE TOXIC AS STORED OR WHICH...DECOMP INTO TOXIC COMPONENTS DUE TO CONTACT WITH HEAT...SHOULD BE STORED IN COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, &...PERIODICALLY INSPECTED & MONITORED.

Disposal Methods · 1 件

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Preventive Measures · 1 件

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants.

毒性情報

Adverse EffectsLacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears.
Human Toxicity Excerpts · 2 件

TESTS OF VAPOR ON MEN HAVE SHOWN THAT 0.0035 MG/L OF AIR IS ALMOST IMMEDIATELY INCAPACITATING... /BENZYL BROMIDE/

LACRIMATORY LIQ. ... INTENSELY IRRITATING TO SKIN, EYES, MUCOUS MEMBRANES. LARGE DOSES CAUSE CNS DEPRESSION. /BENZYL BROMIDE/

安全データ

注意喚起語
危険
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H315

化学と産業

用途と製造

UsesThe undesired alpha isomer formed in the production of the useful intermediate 1-Bromo-2-phenylethane; [Ullmann]
General Manufacturing InformationBenzene, (1-bromoethyl)-: ACTIVE

サプライヤー100 社

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関連反応

144 件

化合物ノート

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