2-Hydroxy-5-(hydroxymethyl)benzaldehyde

HCID 53142CAS 74901-08-9

基本情報

標準SMILES: O=Cc1cc(CO)ccc1O
InChIKey: MFHBKQHAPQBJFO-UHFFFAOYSA-N
分子式: C8H8O3
平均分子量: 152.15 g/mol
単同位体質量: 152.04734411

名称と識別子

優先名称: 2-Hydroxy-5-(hydroxymethyl)benzaldehyde
IUPAC: 2-hydroxy-5-(hydroxymethyl)benzaldehyde
英語名: 2-Hydroxy-5-hydroxymethyl-benzaldehyde
分子式: C8H8O3
分子量: 152.15

名称と別名

2-hydroxy-5-(hydroxymethyl)benzaldehydeRefChem:473247884-752-274901-08-93-08-00-02136 (Beilstein Handbook Reference)BENZALDEHYDE, 2-HYDROXY-5-(HYDROXYMETHYL)-BRN 3237579MFCD004569415-hydroxymethylsalicylaldehyde5-(Hydroxymethyl)salicylaldehyde2-HYDROXY-5-HYDROXYMETHYL-BENZALDEHYDESalicylaldehyde, 5-(hydroxymethyl)-

名称をさらに表示

2-hydroxy-5-methylol-benzaldehyde

2-hydroxy-5-hydroxymethylbenzaldehyde5-(Hydroxymethyl)salicylald5-hydroxymethyl-salicylaldehydeSCHEMBL5528390SCHEMBL29657596DTXSID30225880MFHBKQHAPQBJFO-UHFFFAOYSA-NALBB-013979

データベース識別子

CAS: 74901-08-9
PubChem CID: 53142
DTXSID: DTXSID30225880
EC Number: 884-752-2
Nikkaji: J1.321.833A

物性

構造計算による物性

XLogP: 0.7
極性表面積: 57.5 Å²
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: 2
重原子数: 11
形式電荷: 0
複雑度: 135

物理化学的性質

沸点: 306.5 · 306.5±32.0 °C(Predicted)
比重(密度): 1.342 · 1.342±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C, stored under nitrogen
酸解離定数(Pka): 7.95 · 7.95±0.18(Predicted)
外見: solid
色: Off-white to light yellow
InChI: InChI=1S/C8H8O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-3,5,9,11H,4H2
InChIKey: MFHBKQHAPQBJFO-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(CO)=CC=C1O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): 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 (50%): 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)

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.；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

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

安全データ

hs_code: 2913000090
hazard_class: IRRITANT

化学と産業

サプライヤー47 社

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Aladdin Scientific[email protected]

北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

上海波以尔化工有限公司[email protected]