基本情報
- 標準SMILES
Oc1ccccc1C(=S)S- InChIKey
AJQLEJAVGARHGQ-UHFFFAOYSA-N- 分子式
- C7H6OS2
- 平均分子量
- 170.3 g/mol
- 単同位体質量
- 169.98600716
名称と識別子
- 優先名称
- 2-Hydroxydithiobenzoic acid
- IUPAC
- 2-hydroxybenzenecarbodithioic acid
- 現地名
- 2-ヒドロキシジチオ安息香酸
- 英語名
- dithiosalicylic acid
- 分子式
- C7H6OS2
- 分子量
- 170.25
名称と別名
名称をさらに表示
データベース識別子
- CAS
527-89-9- PubChem CID
- 68243
- DTXSID
DTXSID60870584- ChEBI
CHEBI:37999- UNII
- 8LV29H49A3
- EC Number
- 208-428-1
- Nikkaji
- J134.622I
物性
構造計算による物性
- XLogP
- 2.2
- 極性表面積
- 53.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 136
物理化学的性質
- 融点
- 48 · 48-50°
- 沸点
- 269.91 °C · 269.91°C (rough estimate)
- 比重(密度)
- 1.3611 · 1.3611 (rough estimate)
- 屈折率
- 1.597 · 1.5970 (estimate)
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 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
法規制情報
化学と産業
上流・下流製品情報
下流製品
サプライヤー6 社
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