CAS 59377-20-7 1-Isocyanato-2-phenoxybenzene (HCID 2733389)

基本情報

CAS: 59377-20-7
標準SMILES: O=C=Nc1ccccc1Oc1ccccc1
InChIKey: KCHQIPPONLLUGU-UHFFFAOYSA-N
分子式: C13H9NO2
平均分子量: 211.22 g/mol
単同位体質量: 211.06332853

名称と識別子

優先名称: 1-Isocyanato-2-phenoxybenzene
IUPAC: 1-isocyanato-2-phenoxybenzene
現地名: イソシアン酸2-フェノキシフェニル
英語名: 2-Phenoxyphenyl isocyanate
分子式: C13H9NO2
分子量: 211.22

名称と別名

59377-20-71-isocyanato-2-phenoxybenzene2-PhenoxyphenylisocyanateDTXSID10974788RefChem:433314DTXCID001402209624-955-32-Phenoxyphenyl isocyanateMFCD006730472-phenoxybenzenisocyanatephenoxyphenyl isocyanate2-phenoxy phenyl isocyanate

名称をさらに表示

イソシアン酸2-フェノキシフェニル2-Phenoxyphenyl2-Phenoxyphenyl isocyanate,97%Benzene, 1-isocyanato-2-phenoxy-Benzene, 1-isocyanato-2-phenoxy- (9CI)

SCHEMBL6730411-isocyanato-2-phenoxy-benzene2-Phenoxyphenyl isocyanate, 98%KCHQIPPONLLUGU-UHFFFAOYSA-NGEO-02102SBB079389AKOS005169890DB-021481

データベース識別子

CAS: 59377-20-7
PubChem CID: 2733389
DTXSID: DTXSID10974788
EC Number: 624-955-3

物性

構造計算による物性

XLogP: 4.3
極性表面積: 38.7 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: 3
重原子数: 16
形式電荷: 0
複雑度: 255

物理化学的性質

沸点: 101 °C0.1 · 101 °C0.1 mm Hg(lit.)
比重(密度): 1.168 g/mL · 1.168 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.588(lit.)
闪点: 230 °F · >230 °F
CAS データベース: 59377 · 59377-20-7(CAS DataBase Reference)

化学的性質

化学的特性CLEAR YELLOW LIQUID

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)

Aggregated GHS information provided per 41 reports by companies from 3 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.