4-(トリフルオロメチル)ベンズヒドロール

4-(Trifluoromethyl)benzhydrol

HCID 258897
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基本情報

CAS
395-23-3
標準SMILES
OC(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIKey
LIZDGCXCDJOWBS-UHFFFAOYSA-N
分子式
C14H11F3O
平均分子量
252.23 g/mol
単同位体質量
252.07619946

名称と識別子

優先名称
4-(Trifluoromethyl)benzhydrol
IUPAC
phenyl-[4-(trifluoromethyl)phenyl]methanol
現地名
4-(トリフルオロメチル)ベンズヒドロール
英語名
4-(Trifluoromethyl)benzhydrol
分子式
C14H11F3O
分子量
252.23

名称と別名

4-(Trifluoromethyl)benzhydrolDTXSID50293288RefChem:517133DTXCID60244428636-800-7395-23-3phenyl(4-(trifluoromethyl)phenyl)methanolphenyl[4-(trifluoromethyl)phenyl]methanolphenyl-[4-(trifluoromethyl)phenyl]methanol4-TrifluoromethylbenzhydrolMFCD00014399NSC88345
名称をさらに表示
4-(トリフルオロメチル)ベンズヒドロール4-(トリフルオロメチル)ベンズヒドロール, 97%4-(triflouromethyl)benzhydrol4-(Trifluoromethyl)benzhydrol 97%4-(Trifluoromethyl)benzhydrol,97%4-(trifluoromethyl)diphenylmethanolphenyl 4-(trifluoromethyl)phenyl carbinolBenzenemethanol, α-phenyl-4-(trifluoromethyl)-Phenyl[4-(trifluoromethyl)phenyl]methanol, 4-[Hydroxy(phenyl)methyl]benzotrifluoride, Phenyl 4-(trifluoromethyl)phenyl carbinol
NSC-88345(4-trifluoromethylphenyl)(phenyl)methanolAS-65252phenyl-(4-trifluoromethyl-phenyl)-methanolCS-0156536D82074phenyl[4-(trifluoromethyl)phenyl]methan-1-olBenzhydrol, 4-trifluoromethyl-,

データベース識別子

CAS
395-23-3
PubChem CID
258897
DTXSID
DTXSID50293288
ChEMBL
CHEMBL611616
EC Number
636-800-7
Nikkaji
J1.461.854F

物性

構造計算による物性

XLogP
3.6
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
2
重原子数
18

物理化学的性質

融点
59 °C · 59 °C
沸点
122 °C · 122 °C
比重(密度)
1.257 · 1.257±0.06 g/cm3(Predicted)
闪点
122 · 122-124°C/0.4mm
貯蔵温度
2 · 2-8°C
酸解離定数(Pka)
13.1 · 13.10±0.20(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (86.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (86.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

安全データ

ridadr
1224
hs_code
2906290090
risk_code
36/37/38
hazard_code
F
safety_code
26-36/37/39
hazard_class
FLAMMABLE

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