Basic information
- CAS
62149-35-3- Standard SMILES
O=[N+]([O-])c1ccc(OCC(F)(F)F)cc1- InChIKey
PPYNEIXRXPMHLF-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO3
- Average molar mass
- 221.13 g/mol
- Monoisotopic mass
- 221.02997771
Names & identifiers
- Preferred name
- 1-Nitro-4-(2,2,2-trifluoroethoxy)benzene
- IUPAC
- 1-nitro-4-(2,2,2-trifluoroethoxy)benzene
- English name
- 4-(2,2,2-TRIFLUOROETHOXY)NITROBENZENE
- Molecular formula
- C8H6F3NO3
- Molecular weight
- 221.13
Names & synonyms
1-nitro-4-(2,2,2-trifluoroethoxy)benzene62149-35-34-(2,2,2-Trifluoroethoxy)nitrobenzeneMFCD000776084-(2,2,2-Trifluoroethoxy)-1-nitrobenzene1-nitro-4-(2,2,2-trifluoro-ethoxy)-benzene4-nitro-1-(2,2,2-trifluoroethoxy)benzeneBenzene, 1-nitro-4-(2,2,2-trifluoroethoxy)-SCHEMBL745595SCHEMBL21268237VITAS-BB TBB010418DTXSID80379685
Show more names
4-(2,2,2-Trifluoroethoxy)nitrobenzene97%BENZENE, 1-NITRO-4-(2,2,2-TRIFLUOROETHOXY)
AKOS B030317ART-CHEM-BB B030317SBB024163STK351199AKOS000313630p-(2,2,2-trifluroethoxy) nitrobenzenep-(2,2,2-trifluoroethoxy) nitrobenzeneAS-55104
Database identifiers
- CAS
62149-35-3- PubChem CID
- 2775769
- DTXSID
DTXSID80379685- EC Number
- 113-003-8
- Nikkaji
- J777.562H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
Physicochemical properties
- storage temp.
- Store at room temperature
- form
- solid
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2909309090 · 2909309090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2909309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
15 records
Compound notes
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