Basic information
- CAS
422-39-9- Standard SMILES
O=C(O)C(Cl)(Cl)C(F)(F)F- InChIKey
OEOQSGPFZFSHBS-UHFFFAOYSA-N- Molecular formula
- C3HCl2F3O2
- Average molar mass
- 196.94 g/mol
- Monoisotopic mass
- 195.9305691
Names & identifiers
- Preferred name
- 2,2-Dichloro-3,3,3-trifluoropropionic acid
- IUPAC
- 2,2-dichloro-3,3,3-trifluoropropanoic acid
- English name
- 2,2-DICHLORO-3,3,3-TRIFLUOROPROPIONIC ACID
- Molecular formula
- C3HCl2F3O2
- Molecular weight
- 196.94
Names & synonyms
2,2-Dichloro-3,3,3-trifluoropropionic acidRefChem:440889636-981-2422-39-92,2-dichloro-3,3,3-trifluoropropanoic acidMFCD08146633DTXSID50546564C3HCl2F3O2SCHEMBL10454353OEOQSGPFZFSHBS-UHFFFAOYSA-NAKOS005254461CS-0452334
Show more names
Propanoic acid, 2,2-dichloro-3,3,3-trifluoro-
2,2-dichloro-3,3,3-trifluoro-propanoic acid2,2-Dichloro-3,3,3-trifluoropropionic acid, 97%
Database identifiers
- CAS
422-39-9- PubChem CID
- 13680299
- DTXSID
DTXSID50546564- EC Number
- 636-981-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 26 · 26-34 °C
- Boiling point
- 50 · 50-51 °C/15 mmHg
- refractive index
- 1.39 · 1.3900
- Flash point
- 110 ℃ · >110℃
- form
- solid
- InChI
- 1S/C3HCl2F3O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
- InChIKey
- OEOQSGPFZFSHBS-UHFFFAOYSA-N
- SMILES
- OC(=O)C(Cl)(Cl)C(F)(F)F
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- Xi,C
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN3265
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Suppliers9 total
Aladdin Scientific[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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [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]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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