2-フルオロ-4-メチルベンゾニトリル

2-Fluoro-4-methylbenzonitrile

HCID 2778443

基本情報

CAS
85070-67-3
標準SMILES
Cc1ccc(C#N)c(F)c1
InChIKey
WCGNLBCJPBKXCN-UHFFFAOYSA-N
分子式
C8H6FN
平均分子量
135.14 g/mol
単同位体質量
135.04842736

名称と識別子

優先名称
2-Fluoro-4-methylbenzonitrile
IUPAC
2-fluoro-4-methylbenzonitrile
現地名
2-フルオロ-4-メチルベンゾニトリル
英語名
2-Fluoro-4-methylbenzonitrile
分子式
C8H6FN
分子量
135.14

名称と別名

2-Fluoro-4-methylbenzonitrile85070-67-3DTXSID40380934RefChem:260944DTXCID70331959678-781-84-Cyano-3-fluorotoluene2-fluoro-4-methyl-benzonitrileMFCD03094311BENZONITRILE, 2-FLUORO-4-METHYL-2-fluoro-4-methylbenzenecarbonitrile4-Methyl-2-fluorobenzonitrile
名称をさらに表示
2-フルオロ-4-メチルベンゾニトリル2-フルオロ-p-トルニトリル4-シアノ-3-フルオロトルエン2‐フルオロ‐4‐メチルベンゾニトリル2-Fluoro-4-methylben2-Fluoro-4-methylbenzonitrile>Benzonitrile, 2-fluoro-4-methyl-2-Fluoro-4-methylbenzonitrile98%2-Fluoro-4-methylbenzonitrile 98%
2-Fluoro-p-tolunitrileSCHEMBL30985SCHEMBL5188692-Fluoro-4-methylbenzonitirileWCGNLBCJPBKXCN-UHFFFAOYSA-NAB2851SBB064084AKOS006229602

データベース識別子

CAS
85070-67-3
PubChem CID
2778443
DTXSID
DTXSID40380934
EC Number
678-781-8
Nikkaji
J433.312H

物性

構造計算による物性

XLogP
2.1
極性表面積
23.8 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
10

物理化学的性質

融点
52 · 52-53°C
沸点
219.6 · 219.6±20.0 °C(Predicted)
比重(密度)
1.11 · 1.11±0.1 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
外見
powder to crystal
色
White to Orange to Green

化学的性質

化学的特性Off white crystalline

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (16.7%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (83.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (33.3%): Toxic if inhaled [Danger Acute toxicity, inhalation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (83.3%): 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, P305+P354+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 6 reports by companies from 3 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. 3 (16.7%);Acute Tox. 4 (83.3%);Acute Tox. 3 (16.7%);Acute Tox. 4 (83.3%);Skin Irrit. 2 (83.3%);Eye Dam. 1 (16.7%);Eye Irrit. 2 (83.3%);Acute Tox. 3 (33.3%);STOT SE 3 (83.3%)

安全データ

ridadr
UN3439
hs_code
29269090
risk_code
37/38-41-36/37/38-20/21/22
hazard_code
T,Xi
hazard_note
Toxic
safety_code
26-39-36/37-9

化学と産業

応用分野

使用2-Fluoro-4-methylbenzonitrile is used in the synthesis of fluorobenzamidrazone thrombin inhibitors.

サプライヤー100 社

常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]

関連反応

57 件

化合物ノート

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