4-Chloro-2-phenoxyphenyl isocyanate

HCID 3407433CAS 160693-21-0

基本情報

標準SMILES: O=C=Nc1ccc(Cl)cc1Oc1ccccc1
InChIKey: CZFHANYTOSYAEC-UHFFFAOYSA-N
分子式: C13H8ClNO2
平均分子量: 245.66 g/mol
単同位体質量: 245.0243562

名称と識別子

優先名称: 4-Chloro-2-phenoxyphenyl isocyanate
IUPAC: 4-chloro-1-isocyanato-2-phenoxybenzene
英語名: 4-Chloro-2-phenoxyphenyl isocyanate 97
分子式: C13H8ClNO2
分子量: 245.66

名称と別名

160693-21-04-Chloro-2-phenoxyphenyl isocyanateDTXSID50392200RefChem:291566DTXCID60343061622-662-54-chloro-1-isocyanato-2-phenoxybenzeneBenzene, 4-chloro-1-isocyanato-2-phenoxy-4-CHLORO-2-PHENOXYPHENYL ISOCYANATE 974-chloro-2-phenoxyphenylisocyanatestarbld0006537SCHEMBL160585

名称をさらに表示

4-Chloro-2-phenoxyphenyl isocyanate 975-chloro-2-isocyanatophenyl phenyl etherBenzene, 4-chloro-1-isocyanato-2-phenoxy- (9CI)

SCHEMBL29648775CZFHANYTOSYAEC-UHFFFAOYSA-N4-chloro-2-phenoxy phenyl isocyanate4-chloro-1-isocyanato-2-phenoxy benzeneDA-096844-Chloro-2-phenoxyphenyl isocyanate, 97%

データベース識別子

CAS: 160693-21-0
PubChem CID: 3407433
DTXSID: DTXSID50392200
EC Number: 622-662-5

物性

構造計算による物性

XLogP: 4.9
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: 17
形式電荷: 0
複雑度: 285

物理化学的性質

融点: 35 · 35-40 °C(lit.)
沸点: 328.9 · 328.9±32.0 °C(Predicted)
比重(密度): 1.21 · 1.21±0.1 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

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]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)