2-Fluoro-5-(trifluoromethoxy)benzonitrile

HCID 5221095

基本情報

CAS
886498-08-4
標準SMILES
N#Cc1cc(OC(F)(F)F)ccc1F
InChIKey
MFLGNKVMGUFLOV-UHFFFAOYSA-N
分子式
C8H3F4NO
平均分子量
205.11 g/mol
単同位体質量
205.01507637

名称と識別子

優先名称
2-Fluoro-5-(trifluoromethoxy)benzonitrile
IUPAC
2-fluoro-5-(trifluoromethoxy)benzonitrile
英語名
2-Fluoro-5-(trifluoromethoxy)benzonitrile
分子式
C8H3F4NO
分子量
205.11

名称と別名

2-Fluoro-5-(trifluoromethoxy)benzonitrile886498-08-4DTXSID20411038RefChem:87090DTXCID50361890640-339-7MFCD041158942-Fluoro-5-trifluoromethoxy-benzonitrileSCHEMBL1263373SBB093425AKOS005257694JS-4258
名称をさらに表示
Benzonitrile, 2-fluoro-5-(trifluoromethoxy)-2-Cyano-1-fluoro-4-(trifluoromethoxy)benzene
SY227906DB-078090CS-0084820S108702-fluoro-5-(trifluoromethoxy)benzenecarbonitrileF329079

データベース識別子

CAS
886498-08-4
PubChem CID
5221095
DTXSID
DTXSID20411038
EC Number
640-339-7

物性

構造計算による物性

XLogP
2.9
極性表面積
33 Ų
水素結合供与体数
0
水素結合受容体数
6
回転可能結合数
1
重原子数
14

物理化学的性質

沸点
189.3 · 189.3±40.0 °C(Predicted)
比重(密度)
1.42 · 1.42±0.1 g/cm3(Predicted)
屈折率
1.4385 · 1.4385
貯蔵温度
Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301+H311+H331 (14.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (57.1%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (14.3%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (57.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (85.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (14.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (57.1%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 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 CategoriesSkin Irrit. 2 (85.7%);Eye Irrit. 2 (85.7%);STOT SE 3 (85.7%)

安全データ

ridadr
UN3276
hs_code
2926907090
hazard_class
6.1
packing_group
III

化学と産業

サプライヤー62 社

珠海奥博凯生物医药技术有限公司400-0628126
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

関連反応

10 件

化合物ノート

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