3-Iodo-4,5-dimethoxybenzonitrile

HCID 2982248
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基本情報

CAS
179943-18-1
標準SMILES
COc1cc(C#N)cc(I)c1OC
InChIKey
BOFZQWIKZMKJQN-UHFFFAOYSA-N
分子式
C9H8INO2
平均分子量
289.07 g/mol
単同位体質量
288.95998

名称と識別子

優先名称
3-Iodo-4,5-dimethoxybenzonitrile
IUPAC
3-iodo-4,5-dimethoxybenzonitrile

名称と別名

3-iodo-4,5-dimethoxybenzonitrile179943-18-13-iodo-4,5-dimethoxy-benzonitrileSCHEMBL7129305BOFZQWIKZMKJQN-UHFFFAOYSA-NMFCD02257141SR-01000300031SR-01000300031-1

データベース識別子

CAS
179943-18-1
PubChem CID
2982248
EC Number
173-745-3

物性

構造計算による物性

XLogP
2.2
極性表面積
42.3 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
2
重原子数
13

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

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