HCID8934576

5-(Methylsulfanyl)-2-nitrobenzoic acid

5-methylsulfanyl-2-nitrobenzoic acid

C8H7NO4S213.21 g/molCAS 68701-32-6

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IDENTITY

结构与身份

标准SMILES: CSc1ccc([N+](=O)[O-])c(C(=O)O)c1
InChIKey: WGHRQILGEUWYCX-UHFFFAOYSA-N
分子式: C8H7NO4S
平均分子量: 213.21 g/mol
单同位素质量: 213.00957888

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 108 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 14
形式电荷: 0
复杂度: 240

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

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

ALIASES

名称与别名

共 21 条

5-(methylsulfanyl)-2-nitrobenzoic acidRefChem:531395833-907-25-(methylthio)-2-nitrobenzoic acid68701-32-65-methylsulfanyl-2-nitrobenzoic acidMFCD001300565-methylsulfanyl-2-nitro-benzoic Acid5-(METHYLTHIO)-2-NITROBENZOICACIDSCHEMBL48200505-methylthio-2-nitrobenzoic acidDTXSID60429278WGHRQILGEUWYCX-UHFFFAOYSA-NAKOS000119044AT22913SY169305DB-074060CS-0241824EN300-23886F657651

REACTIONS