Methyl 4-methylnaphthalene-1-carboxylate

HCID 21973653

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 35615-98-6
標準SMILES: COC(=O)c1ccc(C)c2ccccc12
InChIKey: LPLYJJXZWSVXHW-UHFFFAOYSA-N
分子式: C13H12O2
平均分子量: 200.23 g/mol
単同位体質量: 200.08372962

名称と識別子

優先名称: Methyl 4-methylnaphthalene-1-carboxylate
IUPAC: methyl 4-methylnaphthalene-1-carboxylate
英語名: methyl 4-methyl-1-naphthoate
分子式: C13H12O2
分子量: 200.23

名称と別名

35615-98-6Methyl 4-methylnaphthalene-1-carboxylateDTXSID70620991RefChem:355795DTXCID00571745965-340-2METHYL 4-METHYL-1-NAPHTHOATESCHEMBL8705741-Naphthalenecarboxylic acid, 4-methyl-, methyl esterSCHEMBL29197362LPLYJJXZWSVXHW-UHFFFAOYSA-NKBA61598

名称をさらに表示

4-Methyl-naphthalene-1-carboxylic acid methyl ester

MFCD06203861AKOS0001143261-methyl-4-naphthoic acid methyl estermethyl 4-methyl-1-naphthalenecarboxylateDA-32438Methyl 4-methyl-1-naphthalene CarboxylateEN300-1725518F333692

データベース識別子

CAS: 35615-98-6
PubChem CID: 21973653
DTXSID: DTXSID70620991
EC Number: 965-340-2
Nikkaji: J2.497.525H

物性

構造計算による物性

XLogP: 3.4
極性表面積: 26.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 237

物理化学的性質

沸点: 323.7 · 323.7±11.0 °C(Predicted)
比重(密度): 1.126 · 1.126±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.