Basic information
- CAS
16063-80-2- Standard SMILES
NC(C(=O)O)C(C(F)(F)F)C(F)(F)F- InChIKey
KRNSHCKTGFAMPQ-UHFFFAOYSA-N- Molecular formula
- C5H5F6NO2
- Average molar mass
- 225.09 g/mol
- Monoisotopic mass
- 225.02244772
Names & identifiers
- Preferred name
- 4,4,4,4',4',4'-Hexafluorovaline
- IUPAC
- 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
- English name
- HEXAFLUORO-DL-VALINE
- Molecular formula
- C5H5F6NO2
- Molecular weight
- 0
Names & synonyms
16063-80-24,4,4,4',4',4'-hexafluorovalineHexafluorovalineDTXSID80936353RefChem:146016DTXCID901364961240-207-5Hexafluoro-dl-valine2-amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid4,4,4,4',4',4'-hexafluoro-dl-valineMFCD00014349Valine, 4,4,4,4',4',4'-hexafluoro-
Show more names
759-12-62-Amino-4,4,4-trifluoro-3-(trifluoromethyl)butyric acidHMS1661B04EINECS 240-207-5CCG-41562NSC270745SBB0967864,4,4,5,5,5-hexafluoro-dl-valine
Database identifiers
- CAS
16063-80-2、759-12-6- PubChem CID
- 85954
- DTXSID
DTXSID80936353- EC Number
- 240-207-5
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers40 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
常州新氟化学有限公司13275212658 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [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86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
15 records
Compound notes
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