CAS 69526-89-2 3-Formyl-4-methylbenzoic acid (HCID 19019191)

基本情報

CAS: 69526-89-2
標準SMILES: Cc1ccc(C(=O)O)cc1C=O
InChIKey: REPNRLBITGLALU-UHFFFAOYSA-N
分子式: C9H8O3
平均分子量: 164.16 g/mol
単同位体質量: 164.04734411

名称と識別子

優先名称: 3-Formyl-4-methylbenzoic acid
IUPAC: 3-formyl-4-methylbenzoic acid
英語名: 3-Formyl-4-methylbenzoic acid
分子式: C9H8O3
分子量: 164.16

名称と別名

3-Formyl-4-methylbenzoic Acid69526-89-2RefChem:93985872-774-53-formyl-4-methyl-benzoic acidMFCD206604322-deuterio-3-formyl-4-methylbenzoic acid3-Formyl-4-methylbenzoicAcidSCHEMBL1175576REPNRLBITGLALU-UHFFFAOYSA-NDTXSID001307031Benzoic acid, 3-formyl-4-methyl-

名称をさらに表示

UCA52689CL9386AKOS023096120BS-49762SY026516DB-366489CS-0196055EN300-330161

データベース識別子

CAS: 69526-89-2
PubChem CID: 19019191
DTXSID: DTXSID001307031
EC Number: 872-774-5

物性

構造計算による物性

XLogP: 1.3
極性表面積: 54.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 188

物理化学的性質

沸点: 351.3 · 351.3±30.0 °C
貯蔵温度: Store at Room Tem.

安全と法規制

GHS分類

GHS Classification · 5 件

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.