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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 74.6
実験および物理化学的性質
Density
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
SOL IN ALC & ETHER /DL & D FORMS/
SOL IN BENZENE /DL FORM/
INSOL IN WATER /D FORM/
Flash Point
96 °C
205 °F
Boiling Point
94 °C at 16 mm Hg
BP: 202-203 °C @ 760 MM HG /DL/
Other Experimental Properties
DECOMP IN HOT WATER /DL FORM/
UV: 1279 (Sadtler Research Laboratories Spectral Collection) /dl form/
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
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
安全と保護具
Storage Conditions
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
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
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
Human Toxicity Excerpts
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
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
関連反応
化合物ノート
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