基本情報
- 標準SMILES
Nc1cnn(CCO)c1N.O=S(=O)(O)O- InChIKey
IBCDZZHMNXXYAP-UHFFFAOYSA-N- 分子式
- C5H12N4O5S
- 平均分子量
- 240.24 g/mol
- 単同位体質量
- 240.05284067
名称と識別子
- 優先名称
- 4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate
- IUPAC
- 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid
- 英語名
- 4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate
- 分子式
- C5H10N4O.H2O4S
- 分子量
- 240.24
名称と別名
名称をさらに表示
データベース識別子
- CAS
155601-30-2- PubChem CID
- 11673148
- DTXSID
DTXSID20165928- UNII
- 04N8KX12N6
- EC Number
- 429-300-3、605-017-2
物性
構造計算による物性
- 極性表面積
- 173 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 8
- 回転可能結合数
- 2
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 191
物理化学的性質
- 融点
- 183 ℃ · >183℃
- 比重(密度)
- 1.69 · 1.69-1.87 at 20℃
- 蒸気圧
- 0 · 0-0.003Pa at 20-90℃
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- DMSO(微量)、メタノール(微量)
- 外見
- 個体
- 色
- ペールオレンジ
- 化粧品成分の機能
- 着色剤ヘアカラーリング
- LogP
- -1.75 at · -1.75 at 25℃ and pH7
- 表面張力
- 62.8 mN/m · 62.8mN/m at 1-1.01g/L and 20℃
- CAS データベース
- 155601 · 155601-30-2(CAS DataBase Reference)
化学的性質
化学的特性Off-white to pink powder
安全と法規制
GHS分類
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin];H318: Causes serious eye damage [Danger Serious eye damage/eye irritation];H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Danger
危険有害性情報
Regulatory Information
Chemical: 1H-Pyrazole-1-ethanol, 4,5-diamino-, sulfate (1:1) salt;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 02-01-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1370;Status: Active Update: 15-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/15650;Status: Active Update: 16-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13441;Status: Active Update: 03-01-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8429
1H-Pyrazole-1-ethanol, 4,5-diamino-, sulfate (1:1) (salt): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Sens. 1 (100%);Eye Dam. 1 (100%);Aquatic Chronic 2 (100%)
Skin Sens. 1 (100%);Eye Dam. 1 (100%);Aquatic Chronic 2 (100%)
Eye damage - category 1;Skin sensitisation - category 1;Hazardous to the aquatic environment (chronic) - category 2
Eye Dam. 1;Skin Sens. 1;Aquatic Chronic 2
毒性情報
法規制情報
Regulatory Information
Chemical: 1H-Pyrazole-1-ethanol, 4,5-diamino-, sulfate (1:1) salt;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 02-01-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1370;Status: Active Update: 15-01-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/15650;Status: Active Update: 16-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13441;Status: Active Update: 03-01-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/8429
1H-Pyrazole-1-ethanol, 4,5-diamino-, sulfate (1:1) (salt): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- risk_code
- 41-43-51/53
- hazard_code
- Xi,N
- safety_code
- 24-26-37/39-61
化学と産業
用途と製造
応用分野
使用4,5-Diamino-1-(2-hydroxyethyl)pyrazole Sulfate is useful as an oxidative hair dye.
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