Basic information
- CAS
177952-39-5- Standard SMILES
O=C(O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F- InChIKey
BCHGLBXVODTIEE-UHFFFAOYSA-N- Molecular formula
- C10H6F6O2
- Average molar mass
- 272.14 g/mol
- Monoisotopic mass
- 272.0271984
Names & identifiers
- Preferred name
- 2,4-Bis(trifluoromethyl)phenylacetic acid
- IUPAC
- 2-[2,4-bis(trifluoromethyl)phenyl]acetic acid
- English name
- 2,4-BIS(TRIFLUOROMETHYL)PHENYLACETIC ACID
- Molecular formula
- C10H6F6O2
- Molecular weight
- 272.14
Names & synonyms
2,4-Bis(trifluoromethyl)phenylacetic acid177952-39-5DTXSID40371180RefChem:246038DTXCID00322214671-626-52-[2,4-bis(trifluoromethyl)phenyl]acetic Acid2,4-ditrifluoromethylphenylacetic acidBenzeneacetic acid, 2,4-bis(trifluoromethyl)-MFCD00042492[2,4-bis(trifluoromethyl)phenyl]acetic acid2-(2,4-bis(trifluoromethyl)phenyl)acetic acid
Show more names
RARECHEM AL BO 04042,4-Bis(trifluoromethyl)benzeneacetic acid2,4-Bis(trifluoromethyl)phenylaceticacid98%2,4-Bis(trifluoromethyl)phenylacetic acid 98%
(2,4-bis-trifluoromethyl-phenyl)-acetic acidSCHEMBL3741058SCHEMBL30716953CK1031SBB064341AKOS005255450AC-4181CS-W012360
Database identifiers
- CAS
177952-39-5- PubChem CID
- 2736172
- DTXSID
DTXSID40371180- EC Number
- 671-626-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 85 · 85-90℃
- Boiling point
- 235 ℃ · 235℃
- Density
- 1.479 · 1.479
- Flash point
- 96 ℃ · 96℃
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- 3.8 · 3.80±0.10(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 177952 · 177952-39-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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)
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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916399090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers87 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [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]
Related reactions
3 records
Compound notes
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