4-シアノベンジルブロミド

4-(Bromomethyl)benzonitrile

HCID 86996CAS 17201-43-3
部分構造検索類似構造を探す

基本情報

標準SMILES
N#Cc1ccc(CBr)cc1
InChIKey
UMLFTCYAQPPZER-UHFFFAOYSA-N
分子式
C8H6BrN
平均分子量
196.04 g/mol
単同位体質量
194.96836

名称と識別子

優先名称
4-(Bromomethyl)benzonitrile
IUPAC
4-(bromomethyl)benzonitrile
現地名
4-シアノベンジルブロミド
英語名
4-Cyanobenzyl bromide
分子式
C8H6BrN
分子量
196.04

名称と別名

4-Cyanobenzyl bromide17201-43-34-(Bromomethyl)benzonitrilep-Cyanobenzyl bromideBenzonitrile, 4-(bromomethyl)-alpha-Bromo-p-tolunitrilep-(Bromomethyl)benzonitrileBenzonitrile, p-(bromomethyl)-p-Tolunitrile, alpha-bromo-NSC 95792p-Toluonitrile, alpha-bromo-RV332B84ZG
名称をさらに表示
4-シアノベンジルブロミド4-ブロモメチルベンゾニトリル4-(ブロモメチル)ベンゾニトリルα-ブロモ-p-トルニトリルα-ブロモ-4-シアノトルエン4-シアノベンジル ブロミド４ブロモメチルベンゾニトリルΑ‐ブロモ‐P‐トルニトリルP-シアノベンジル=ブロミド臭化4-シアノベンジルp-(ﾌﾞﾛﾓﾒﾁﾙ)ﾍﾞﾝｿﾞﾆﾄﾘﾙPara Cyano Benzyl BromideA-BROMO-P-TOLUNITRILE4CNBBAKOS BC-30284-CyanobenzylAKOS BBS-000039704-Cyanobezyl Bromide4-Cynobenzyl bromide
EINECS 241-246-0NSC-95792DTXSID40864744RefChem:515417DTXCID90813227InChI=1/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H4-bromomethylbenzonitrile4-Bromomethyl-benzonitrile

データベース識別子

CAS
17201-43-3
PubChem CID
86996
DTXSID
DTXSID40864744
UNII
RV332B84ZG
EC Number
241-246-0
Nikkaji
J266.795I

物性

構造計算による物性

XLogP
2.2
極性表面積
23.8 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
1
重原子数
10

物理化学的性質

融点
115 · 115-117 °C(lit.)
沸点
143 °C · 143 °C / 12mmHg
比重(密度)
1.5466 · 1.5466 (rough estimate)
屈折率
1.655 · 1.6550 (estimate)
貯蔵温度
2 · Inert atmosphere,2-8°C
溶解性
Chloroform (Slightly), Methanol (Slightly)

化学的性質

化学的特性white to light yellow crystal powde

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (98.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (35.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H334 (88.2%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P264, P264+P265, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P342+P316, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 10 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.

危険有害性情報

Regulatory InformationBenzonitrile, 4-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (98.8%)；Eye Dam. 1 (35.3%)；Resp. Sens. 1 (88.2%)

法規制情報

Regulatory InformationBenzonitrile, 4-(bromomethyl)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
10-19-21
wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29269090
risk_code
34-42/43

化学と産業

用途と製造

General Manufacturing InformationBenzonitrile, 4-(bromomethyl)-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用A benzyl halide as postemergence herbicides.

一般的な説明4-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北蝶化新材料科技有限公司86-18372897-544 18995560451
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
常熟市海天医药原料有限公司13913622609

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