基本情報
- 標準SMILES
Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12- InChIKey
APRRQJCCBSJQOQ-UHFFFAOYSA-N- 分子式
- C10H9NO7S2
- 平均分子量
- 319.3 g/mol
- 単同位体質量
- 318.98204397
名称と識別子
- 優先名称
- H acid
- IUPAC
- 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
- 英語名
- 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, diazotized, coupled with diazotized 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonic acid, diazotized 4-nitrobenzenamine and resorcinol, potassium sodium salts
- 分子量
- 0
名称と別名
名称をさらに表示
データベース識別子
- CAS
90-20-0、90431-97-3、90432-00-1、98072-99-2- PubChem CID
- 7009
- DTXSID
DTXSID0046981- ChEMBL
CHEMBL60494- UNII
- 4WUM31ES4U
- EC Number
- 201-975-7、291-627-0、291-630-7、308-556-9
- Nikkaji
- J3.554H
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 172 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 2
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 561
実験および物理化学的性質
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1.3% (2 of 150) of reports.
Danger
H302+H332 (69.3%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation];H302 (69.3%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (26.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (72%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (72%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (69.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (72%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 150 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 2 of 150 reports by companies.;There are 4 notifications provided by 148 of 150 reports by companies with hazard statement code(s).;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.
危険有害性情報
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-
Chemical: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, diazotized, coupled with diazotized 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonic acid, diazotized 4-nitrobenzenamine and resorcinol, potassium sodium salts
2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11150
2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, diazotized, coupled with diazotized 2-(4-aminophenyl)amino-5-nitrobenzenesulfonic acid, diazotized 4-nitrobenzenamine and resorcinol, potassium sodium salts: 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.
Other Safety Information
IMAP assessments - 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, diazotized, coupled with diazotized 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonic acid, diazotized 4-nitrobenzenamine and resorcinol, potassium sodium salts: Human health tier I assessment
法規制情報
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-
Chemical: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, diazotized, coupled with diazotized 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonic acid, diazotized 4-nitrobenzenamine and resorcinol, potassium sodium salts
2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11150
2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, diazotized, coupled with diazotized 2-(4-aminophenyl)amino-5-nitrobenzenesulfonic acid, diazotized 4-nitrobenzenamine and resorcinol, potassium sodium salts: 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.
化学と産業
用途と製造
関連反応
関連ノート
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