4-(Trifluoromethyl)phenyl isocyanate (HCID 73768)

名称と識別子

優先名称: 4-(Trifluoromethyl)phenyl isocyanate
IUPAC: 1-isocyanato-4-(trifluoromethyl)benzene
現地名: イソシアン酸4-(トリフルオロメチル)フェニル
英語名: 4-(Trifluoromethyl)phenyl isocyanate
分子式: C8H4F3NO
分子量: 187.12

名称と別名

4-(Trifluoromethyl)phenyl isocyanateRefChem:5171651548-13-61-isocyanato-4-(trifluoromethyl)benzene4-(Trifluoromethyl)phenylisocyanatealpha,alpha,alpha-Trifluoro-p-tolyl isocyanate4-Trifluoromethylphenyl isocyanateBenzene, 1-isocyanato-4-(trifluoromethyl)-MFCD00002028Trifluoromethylphenyl isocyanate1-isocyanato-4-trifluoromethyl-benzene4-(trifluoromethyl)benzenisocyanate

名称をさらに表示

イソシアン酸4-(トリフルオロメチル)フェニル4-(トリフルオロメチル)フェニルイソシアナート1-イソシアナト-4-(トリフルオロメチル)ベンゼン[4-(トリフルオロメチル)フェニル]イソシアナート４－イソシアナートベンジルトリフルオリドα,α,α-トリフルオロ-p-トリルイソシアナートイソシアン酸P-トリフルオロメチルフェニルイソシアン酸4-(トリフルオロメチル)フェニル, 98%4-トリフルオロメチルフェニルイソシアナート4-ISOCYANATOBENZYLTRIFLUORIDEà,à,à-trifluoro-p-tolyl isocyanateα,α,α-trifluoro-p-tolyl isocyanate4-(TRIFLUOROMETHYL)PHENYL ISOCYABATEp-Trifluoromethylphenylisocyanate,99%4-(TRIFLUOROMETHYL)PHENYL ISOCYANATE54-(Trifluoromethyl)phenylisocyanate97%

4-Isocyanatobenzotrifluoridep-TrifluoromethylphenylisocyanateEINECS 216-284-64-(trifluoro-methyl)phenyl isocyanateIsocyanic Acid 4-(Trifluoromethyl)phenyl Estertrifluoro-p-tolyl isocyanatepara-IsocyanatbenzotrifluoridSCHEMBL160983

データベース識別子

CAS: 1548-13-6
PubChem CID: 73768
DTXSID: DTXSID20935067
EC Number: 216-284-6
Nikkaji: J206.772B

物性

構造計算による物性

XLogP: 3.6
極性表面積: 29.4 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 212

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

物理化学的性質

融点: 58.5 °C · 58.5°C
沸点: 58 · 58-59 °C10 mm Hg(lit.)
比重(密度): 1.31 g/mL · 1.31 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.471
闪点: 69 °C · 69 °C
貯蔵温度: 2 · 2-8°C
外見: 液体
色: 無色
比重: 1.31 · 1.31
水溶解度: 水中で加水分解します。
BRN: 881041 · 881041
CAS データベース: 1548 · 1548-13-6(CAS DataBase Reference)
EPAの化学物質情報: Trifluoromethylphenyl isocyanate (1548-13-6)

化学的性質

化学的特性CLEAR COLORLESS LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 44.6% (37 of 83) of reports.

Danger

H302 (48.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+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 83 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (48.2%)

安全データ

F: 10-21
wgk: 3
ridadr: UN 3382 6.1/PG 1
hs_code: 29291090
risk_code: 20/21/22-36/37/38-42
消防法: 危-4-2-III
hazard_code: Xn,T
hazard_note: Toxic/Lachrymatory/Keep Cold
safety_code: 26-36/37/39
hazard_class: 6.1
packing_group: II

化学と産業

応用分野 · 1 件

使用4-(Trifluoromethyl)phenyl isocyanate has been used in the synthesis of fluorescent photoinduced electron transfer (PET) chemosensors and 2-ethyl-6-[(4-trifluoromethylphenylcarbamoyl)hydrazino]-benzo[de]iso-quinoline-1,3-dione, an amidourea-based sensor for anions. It has also been used in the synthesis of 1,8-naphthalimide based colorimetric and fluorescent sensor for anions.