HCID14275

2-Methyl-5-hydroxypyridine

6-methylpyridin-3-ol

C6H7NO109.13 g/molCAS 1121-78-4

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(O)cn1
InChIKey: DHLUJPLHLZJUBW-UHFFFAOYSA-N
分子式: C6H7NO
平均分子量: 109.13 g/mol
单同位素质量: 109.05276385

COMPUTED

结构计算性质

已同步

XLogP: 0.8
极性表面积: 33.1 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 74

PROPERTIES

实验与物化性质

Kovats Retention Index

2430

Collision Cross Section

119.4 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580]；118.1 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID4051580]；120.4 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4051580]

GHS

GHS分类

GHS Classification

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

HAZARDS

危害信息

Hazard Classes and Categories

Acute Tox. 4 (88.9%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (88.9%)；Eye Irrit. 2 (11.1%)；STOT SE 3 (97.8%)

ALIASES

名称与别名

共 72 条

5-Hydroxy-2-methylpyridine1121-78-46-Methylpyridin-3-ol2-Methyl-5-hydroxypyridine3-HYDROXY-6-METHYLPYRIDINE6-Methyl-3-pyridinol3-Pyridinol, 6-methyl-6-Methyl-3-hydroxypyridine5-Hydroxy-2-picoline2-methyl-5-pyridinolDTXSID4051580UKE16JP1JREINECS 214-337-8NSC 27963BRN 0107077NSC-279633-PYRIDOL, 6-METHYL-DTXCID8030132DHLUJPLHLZJUBW-UHFFFAOYSA-5-21-02-00139 (Beilstein Handbook Reference)

REACTIONS