基本情報
- CAS
213203-65-7- 標準SMILES
Fc1cc(CBr)ccc1C(F)(F)F- InChIKey
MOVSRIIBGRAUAF-UHFFFAOYSA-N- 分子式
- C8H5BrF4
- 平均分子量
- 257.02 g/mol
- 単同位体質量
- 255.95108
名称と識別子
- 優先名称
- 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
- IUPAC
- 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
- 現地名
- 3-フルオロ-4-(トリフルオロメチル)ベンジルブロミド
- 英語名
- 3-Fluoro-4-(trifluoromethyl)benzyl bromide
- 分子式
- C8H5BrF4
- 分子量
- 257.02
名称と別名
4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzeneRefChem:515368671-884-9213203-65-73-Fluoro-4-(trifluoromethyl)benzyl bromideMFCD00236289SCHEMBL698164DTXSID603721544-bromomethyl-2-fluoro-1-trifluoromethyl-benzeneAKOS0158532873-fluoro-4-trifluoromethylbenzyl bromideSCHEMBL29889972
名称をさらに表示
3-フルオロ-4-(トリフルオロメチル)ベンジルブロミドFluorotrifluoromethylbenzylbromide3-fluoro-4-trifluoromethyl bromide benzylà-bromo-3-fluoro-4-(trifluoromethyl)toluenea-Bromo-3-fluoro-4-(trifluoromethyl)toluene3-Fluoro-4-(trifluoromethyl)benzyl bromide 97%ALPA-BROMO-3-FLUORO-4-(TRIFLUOROMETHYL)TOLUENE3-Fluoro-4-(trifluoromethyl)benzyl bromide, 97+%3-Fluoro-4-(trifluoromethyl)benzyl bromide bromide
SBB1018083-fluoro-4-trifluoromethyl-benzyl bromideAC-28642AS-40114SY227757DB-045548EN300-1930704F007924
データベース識別子
- CAS
213203-65-7- PubChem CID
- 2737574
- DTXSID
DTXSID60372154- EC Number
- 671-884-9
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 168
物理化学的性質
- 融点
- 25 · 25-27°C
- 沸点
- 206.8 · 206.8±35.0 °C(Predicted)
- 比重(密度)
- 1.64 · 1.640±0.06 g/cm3(Predicted)
- 外見
- fused solid
- 色
- Off white
- InChI
- 1S/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
- InChIKey
- MOVSRIIBGRAUAF-UHFFFAOYSA-N
- SMILES
- Fc1cc(CBr)ccc1C(F)(F)F
- CAS データベース
- 213203 · 213203-65-7(CAS DataBase Reference)
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, 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 CategoriesSkin Corr. 1B (100%)；Eye Irrit. 2 (16.7%)；STOT SE 3 (16.7%)
安全データ
- wgk
- WGK 3
- ridadr
- 1760
- hs_code
- 2903998090
- risk_code
- 34-36/37/38-22
- hazard_code
- C,Xn
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 Oral
化学と産業
サプライヤー76 社
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司
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