5-Bromo-2-isopropoxybenzonitrile

HCID 3262494

基本情報

CAS
515832-52-7
標準SMILES
CC(C)Oc1ccc(Br)cc1C#N
InChIKey
YRPPYKWHWKFYGJ-UHFFFAOYSA-N
分子式
C10H10BrNO
平均分子量
240.1 g/mol
単同位体質量
238.99458

名称と識別子

優先名称
5-Bromo-2-isopropoxybenzonitrile
IUPAC
5-bromo-2-propan-2-yloxybenzonitrile
英語名
5-Bromo-2-isopropoxy-benzonitrile
分子式
C10H10BrNO
分子量
240.1

名称と別名

5-bromo-2-isopropoxybenzonitrile515832-52-7DTXSID90390780RefChem:301683DTXCID403416415-Bromo-2-Isopropoxy-BenzonitrileMFCD022574415-bromo-2-propan-2-yloxybenzonitrile5-bromo-2-(propan-2-yloxy)benzonitrile5-bromo-2-(methylethoxy)benzenecarbonitrileSCHEMBL1293570YRPPYKWHWKFYGJ-UHFFFAOYSA-N
名称をさらに表示
AKOS B0059265-bromo-2-propan-2-yloxy-benzonitrileBenzonitrile, 5-bromo-2-(1-methylethoxy)-
ALBB-008948BBL016900CL9018SBB029755STK436806AKOS000303816AS-46171SY101105

データベース識別子

CAS
515832-52-7
PubChem CID
3262494
DTXSID
DTXSID90390780
EC Number
678-705-3

物性

構造計算による物性

XLogP
3.1
極性表面積
33 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
2
重原子数
13

物理化学的性質

沸点
308.5 · 308.5±22.0 °C(Predicted)
比重(密度)
1.41 · 1.41±0.1 g/cm3(Predicted)
貯蔵温度
2 · Storage temp. 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 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.

安全データ

ridadr
UN3439
hazard_class
6.1
packing_group
III

化学と産業

応用分野

使用5-Bromo-2-isopropoxybenzonitrile is used as pharmaceutical intermediate.

サプライヤー39 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

関連反応

5 件

化合物ノート

読み込み中…