(2,6-Dichloro-3-fluorophenyl)methanol

HCID 67004432

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基本情報

CAS: 1227611-90-6
標準SMILES: OCc1c(Cl)ccc(F)c1Cl
InChIKey: XRJNYTQWCHPNAQ-UHFFFAOYSA-N
分子式: C7H5Cl2FO
平均分子量: 195.01 g/mol
単同位体質量: 193.9701483

名称と識別子

優先名称: (2,6-Dichloro-3-fluorophenyl)methanol
IUPAC: (2,6-dichloro-3-fluorophenyl)methanol
英語名: 2,6-Dichloro-3-fluorobenzenemethanol
分子式: C7H5Cl2FO
分子量: 195.02

名称と別名

(2,6-dichloro-3-fluorophenyl)methanol1227611-90-6RefChem:394671844-500-42,6-Dichloro-3-fluorobenzyl AlcoholMFCD166600332,6-Dichloro-3-fluorobenzenemethanolSCHEMBL1358925SCHEMBL25180090XRJNYTQWCHPNAQ-UHFFFAOYSA-NCZB61190AC8047

名称をさらに表示

Benzenemethanol, 2,6-dichloro-3-fluoro-

AKOS027366305(2,6-dichloro-3-fluoro-phenyl)methanolSY200688DB-120440CS-0109790EN300-208054Z1255500734

データベース識別子

CAS: 1227611-90-6
PubChem CID: 67004432
EC Number: 844-500-4

物性

構造計算による物性

XLogP: 2.3
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 134

物理化学的性質

沸点: 266.5 · 266.5±35.0 °C(Predicted)
比重(密度): 1.484 · 1.484±0.06 g/cm3(Predicted)
酸解離定数(Pka): 13.23 · 13.23±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.