CAS 644982-55-8 3-Bromo-5-formylbenzonitrile (HCID 53425523)

基本情報

CAS: 644982-55-8
標準SMILES: N#Cc1cc(Br)cc(C=O)c1
InChIKey: FKGQJUAOTNPVFD-UHFFFAOYSA-N
分子式: C8H4BrNO
平均分子量: 210.03 g/mol
単同位体質量: 208.94763

名称と識別子

優先名称: 3-Bromo-5-formylbenzonitrile
IUPAC: 3-bromo-5-formylbenzonitrile
英語名: 3-Bromo-5-cyanobenzaldehyde
分子式: C8H4BrNO
分子量: 210.04

名称と別名

3-Bromo-5-formylbenzonitrile644982-55-83-BROMO-5-CYANOBENZALDEHYDEMFCD09261040Benzonitrile,3-bromo-5-formyl-Benzonitrile, 3-bromo-5-formyl-SCHEMBL5524533-bromo-5-formyl-benzonitrileDTXSID90698899FKGQJUAOTNPVFD-UHFFFAOYSA-NUAB98255AKOS016003638

名称をさらに表示

6-Bromo-3-iodo-1-methyl-1H-indazole

AB50042AS-33268DA-23963SY258809CS-0105500F2258073-Bromo-5-formylbenzonitrile,3-Bromo-5-cyanobenzaldehyde

データベース識別子

CAS: 644982-55-8
PubChem CID: 53425523
DTXSID: DTXSID90698899
EC Number: 184-780-9

物性

構造計算による物性

XLogP: 1.8
極性表面積: 40.9 Å²
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: 1
重原子数: 11
形式電荷: 0
複雑度: 196

物理化学的性質

貯蔵温度: Sealed in dry,Room Temperature

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.