MDL | MFCD00002448 |
InChIKey | WHSXTWFYRGOBGO-UHFFFAOYSA-N |
Inchi | 1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) |
SMILES | O([H])C1C(C(=O)O[H])=C([H])C([H])=C([H])C=1C([H])([H])[H] |
BRN | 2086811 |
LogP | 1.39880 |
PSA | 57.53000 |
Merck | 2581 |
折射率 | 1.4945 (estimate) |
水溶性 | 1.5 g/L (20 ºC) |
沸点 | 234.6°C (rough estimate) |
熔点 | 165.0 to 169.0 deg-C |
闪点 | 145.4ºC |
溶解度 | methanol: soluble5%, clear to slightly hazy (colorlessto faint brown) |
颜色与性状 | 白色或微红色结晶状粉末。 |
PH值 | 2.8 (1.5g/l, H2O, 20℃) |
溶解性 | 易溶于热水,能溶于醇、醚、氯仿及****溶液,微溶于冷水 |
密度 | 1.2143 (rough estimate) |
精确分子量 | 152.04700 |
氢键供体数量 | 2 |
氢键受体数量 | 3 |
可旋转化学键数量 | 1 |
同位素质量 | 152.047 |
重原子数量 | 11 |
复杂度 | 155 |
同位素原子数量 | 0 |
确定原子立构中心数量 | 0 |
不确定原子立构中心数量 | 0 |
确定化学键立构中心数量 | 0 |
不确定化学键立构中心数量 | 0 |
共价键单元数量 | 1 |
疏水参数计算参考值(XlogP) | 2.9 |
互变异构体数量 | 4 |
表面电荷 | 0 |
拓扑分子极性表面积 | 57.5 |
符号: |
GHS05
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RTECS号 | GP3920000 |
WGK Germany | 3 |
安全说明 | S26-S36/39-S22 |
风险术语 | R22; R41 |
危险品标志 |
Xn
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危险品运输编号 | UN 2811 |
危害声明 | H302,H315,H318,H335 |
警示性声明 | P261,P280,P305+P351+P338 |
提示语 | 危险 |
储存条件 | 4°C, protect from light, stored under nitrogen |
危险类别码 | 22-37/38-41 |
信号词 | Danger |
TSCA | Yes |
EINECS | 201-473-8 |
海关编码 | 2918290000 |
海关数据 |
中国海关编码:2918290000概述:2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0% 申报要素:品名, 成分含量, 用途 监管条件:
A.入境货物通关单 检验检疫类别:
R.进口食品卫生监督检验 Summary:HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |
1.
Solution and calorimetric thermodynamic study of a new 1?:?1 sulfamethazine–3-methylsalicylic acid co-crystal
Dipali Ahuja,Michael Sv?rd,Matteo Lusi,?ke C. Rasmuson CrystEngComm 2020 22 3463
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Hydrophilic oxygen radical absorbance capacity values of low-molecular-weight phenolic compounds containing carbon, hydrogen, and oxygen
Shuhei Sakurai,Akito Kikuchi,Hiroaki Gotoh RSC Adv. 2022 12 4094
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XXIII.—Derivatives of gallic acid. Part II. Gallic acid (and the cresotic acids) and chloral
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PubChemId | 87565535 |
Reaxys RN | 2086811 |
Beilstein | 10,220 |