基本情報
- 標準SMILES
CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
IETWCRRCPURZOC-UHFFFAOYSA-N- 分子式
- C14H15N3O3S
- 平均分子量
- 305.35 g/mol
- 単同位体質量
- 305.08341234
名称と識別子
- 優先名称
- Benzenesulfonic acid, 4-(2-(4-(dimethylamino)phenyl)diazenyl)-
- IUPAC
- 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid
名称と別名
Benzenesulfonic acid, 4-(2-(4-(dimethylamino)phenyl)diazenyl)-Benzenesulfonic acid, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-RefChem:564426502-02-3Benzenesulfonic acid, 4-[[4-(dimethylamino)phenyl]azo]-Methyl orange (acid form)606126-34-54-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzene-1-sulfonic acidCHEMBL220397NSC-9595p-[[p-(Dimethylamino)phenyl]azo]benzenesulfonic acid4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid
名称をさらに表示
4-[2-[4-(Dimethylamino)phenyl]diazenyl]benzenesulfonic acid4-dimethylaminoazobenzene-4'-sulfonic acidp-((p-(Dimethylamino)phenyl)azo)benzenesulfonic acidBenzenesulfonic acid, 4-((4-(dimethylamino)phenyl)azo)-Benzenesulfonic acid, p-((p-(dimethylamino)phenyl)azo)-Benzenesulfonic acid, p-[[p-(dimethylamino)phenyl]azo]-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonic acid4-{[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonic acid
データベース識別子
- CAS
502-02-3、606126-34-5- PubChem CID
- 11037
- DTXSID
DTXSID3060112- ChEMBL
CHEMBL220397- UNII
- JE4B4UF7ZV
- EC Number
- 207-932-9
- Nikkaji
- J182.252G
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 90.7 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 443
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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%)
化学と産業
用途と製造
General Manufacturing InformationBenzenesulfonic acid, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-: INACTIVE
関連反応
42 件
関連ノート
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