基本情報
- CAS
77532-79-7- 標準SMILES
Cc1ccc(F)cc1C#N- InChIKey
IBRODYNXELBTJC-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
- 5-Fluoro-2-methylbenzonitrile
- IUPAC
- 5-fluoro-2-methylbenzonitrile
- 現地名
- ５フルオロ２メチルベンゾニトリル
- 英語名
- 5-Fluoro-2-methylbenzonitrile
- 分子式
- C8H6FN
- 分子量
- 135.14
名称と別名
5-Fluoro-2-methylbenzonitrile77532-79-7DTXSID30335034RefChem:102631DTXCID80286123623-177-1IBRODYNXELBTJC-UHFFFAOYSA-N2-cyano-4-fluorotoluene2-methyl-5-fluorobenzonitrileBenzonitrile, 5-fluoro-2-methyl-5-Fluoro-2-methyl-benzonitrileMFCD00042295
名称をさらに表示
５フルオロ２メチルベンゾニトリル5-フルオロ-2-メチルベンゾニトリル2-シアノ-4-フルオロトルエン5-Fluoro-2-methylben5-FLUORO-O-TOLUNITRILEMethyl-5-fluorobenzonitrile5-Fluoro-o-tolunitrile (CN=1)5-Fluoro-2-methylbenzonitrile>Benzonitrile, 5-fluoro-2-methyl-5-Fluoro-2-methylbenzonitrile 98%
SCHEMBL1015235-fluoro-2-methylbenzenecarbonitrileAKOS009158106AC-4087PS-9123F0747EN300-626193-FLUORO-6-METHYLBENZONITRILE
データベース識別子
- CAS
77532-79-7- PubChem CID
- 522668
- DTXSID
DTXSID30335034- EC Number
- 623-177-1
- Nikkaji
- J2.937.591G
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
- 形式電荷
- 0
- 複雑度
- 158
物理化学的性質
- 融点
- 43 · 43-45 °C (lit.)
- 沸点
- 230 °C · 230°C (rough estimate)
- 比重(密度)
- 1.1203 · 1.1203 (estimate)
- 闪点
- 175 °F · 175 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 色
- White to Light yellow to Light orange
- BRN
- 7700578 · 7700578
- InChI
- InChI=1S/C8H6FN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
- InChIKey
- IBRODYNXELBTJC-UHFFFAOYSA-N
- SMILES
- C(#N)C1=CC(F)=CC=C1C
- CAS データベース
- 77532 · 77532-79-7(CAS DataBase Reference)
- NISTの化学物質情報
- 5 · 5-Fluoro-2-methylbenzonitrile(77532-79-7)
化学的性質
化学的特性yellow low melting solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (83.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (14.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (95.8%): 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, P305+P354+P338, P317, 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 48 reports by companies from 8 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 (14.6%)；Acute Tox. 4 (14.6%)；Skin Irrit. 2 (97.9%)；Eye Dam. 1 (83.3%)；Eye Irrit. 2 (14.6%)；Acute Tox. 4 (14.6%)；STOT SE 3 (95.8%)
安全データ
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29269090
- risk_code
- 37/38-41
- hazard_code
- Xi,T
- hazard_note
- Toxic
- safety_code
化学と産業
応用分野
一般的な説明5-Fluoro-2-methylbenzonitrile is an aryl fluorinated building block.
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
関連反応
14 件
化合物ノート
読み込み中…