Basic information
- CAS
900-91-4- Standard SMILES
O=C(O)CC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
XMSJLUKCGWQAHO-UHFFFAOYSA-N- Molecular formula
- C21H18O2
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.13067982
Names & identifiers
- Preferred name
- 3,3,3-Triphenylpropionic Acid
- IUPAC
- 3,3,3-triphenylpropanoic acid
- English name
- 3,3,3-Triphenylpropionic acid
- Molecular formula
- C21H18O2
- Molecular weight
- 302.37
Names & synonyms
3,3,3-Triphenylpropionic acid900-91-4Tritylacetic acid2-Triphenylmethyl acetic acidDTXSID90237989NSC 131292Benzenepropanoic acid, .beta.,.beta.-diphenyl-Benzenepropanoic acid, beta,beta-diphenyl-RefChem:90736DTXCID90160480624-655-2XMSJLUKCGWQAHO-UHFFFAOYSA-N
Show more names
TIMTEC-BB SBB0078773,3,3-triphenylpropanoate2-TRIPHENYLMETHYLACETIC ACID3,3,3-Triphenylpropionic acid,97%
3,3,3-Triphenylpropanoic acidMFCD000027132-tritylacetic acidAKOS001572680SY048719EU-0000699T1558SR-01000393640
Database identifiers
- CAS
900-91-4- PubChem CID
- 136696
- DTXSID
DTXSID90237989- EC Number
- 624-655-2
- Nikkaji
- J150.057K
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organic Acids
Physical DescriptionTan powder; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 180 · 180-182 °C (lit.)
- Boiling point
- 433.6 · 433.6±14.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- vapor density
- 10.1 · 10.1 (vs air)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 4.25 · 4.25±0.10(Predicted)
- color
- White to Orange to Green
- BRN
- 2057448 · 2057448
- InChI
- InChI=1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)
- InChIKey
- XMSJLUKCGWQAHO-UHFFFAOYSA-N
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-37
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemistry & industry
Applications
Uses3,3,3-Triphenylpropionic acid is used as pharmaceutical intermediates.
General DescriptionReaction of 3,3,3-triphenylpropionic acid with lead tetraacetate in benzene, acetonitrile or chlorobenzene solution has been investigated.
Suppliers70 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
22 records
Compound notes
Loading…