2-Methoxyphenyl Isothiocyanate (HCID 520599)

名称と識別子

優先名称: 2-Methoxyphenyl Isothiocyanate
IUPAC: 1-isothiocyanato-2-methoxybenzene
現地名: イソチオシアン酸2-メトキシフェニル
英語名: 2-Methoxyphenyl isothiocyanate
分子式: C8H7NOS
分子量: 165.21

名称と別名

2-Methoxyphenyl isothiocyanate3288-04-8Benzene, 1-isothiocyanato-2-methoxy-o-Methoxyphenyl isothiocyanateDTXSID10334404RefChem:87939DTXCID80285494628-241-2QKAOOWJWWKWWOZ-UHFFFAOYSA-N1-Isothiocyanato-2-methoxybenzene2-METHOXYPHENylisoTHIOCYANATEMFCD00011675

名称をさらに表示

イソチオシアン酸2-メトキシフェニル2-メトキシ-1-イソチオシアナトベンゼン2-メトキシフェニルイソチオシアナートイソチオシアン酸2‐メトキシフェニルイソチオシアン酸O-メトキシフェニルイソチオシアン酸=2-メトキシフェニル1-イソチオシアナト-2-メトキシベンゼンguaiacyl isothiocyanateo-Anisyl isothiocyanate2-Methoxy-1-isothiocyanatobenzene2-Methoxyphenyl isothiocyate, 99%2-Methoxyphenyl isothiocyanate 98%2-Methoxyphenyl isothiocyanate,99%

SCHEMBL331765orthomethoxyphenyl isothiocyanate1-isothiocyanato-2-methoxy-benzene2-isothiocyanato-1-methoxy-benzeneIsothiocyanic Acid 2-Methoxyphenyl EsterBP-10889I05122-methoxybenzenisothiocyanate

データベース識別子

CAS: 3288-04-8
PubChem CID: 520599
DTXSID: DTXSID10334404
EC Number: 628-241-2
Nikkaji: J265.503I

物性

構造計算による物性

XLogP: 3.3
極性表面積: 53.7 Å²
水素結合供与体数: 0
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: 165

物理化学的性質

沸点: 264 · 264-266 °C
比重(密度): 1.19 · 1.19
屈折率: 1.6433 · 1.6433-1.6453
闪点: 110 °C · >110°C
外見: 液体
比重: 1.196 · 1.196
色: クリアライトイエロー
水溶解度: 水と反応する。
BRN: 638293 · 638293
InChI: 1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
InChIKey: QKAOOWJWWKWWOZ-UHFFFAOYSA-N
SMILES: COc1ccccc1N=C=S
LogP: 4 · 4.000 (est)
CAS データベース: 3288 · 3288-04-8(CAS DataBase Reference)

化学的性質

化学的特性clear light yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (86.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, 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.