Basic information
- CAS
1735-91-7- Standard SMILES
O=C(O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
DUDZAZPWJFTDPV-UHFFFAOYSA-N- Molecular formula
- C9H6F3NO4
- Average molar mass
- 249.14 g/mol
- Monoisotopic mass
- 249.02489216
Names & identifiers
- Preferred name
- (2-Nitro-4-trifluorobenzyl)acetic acid
- IUPAC
- 2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid
- English name
- 2-NITRO-4-(TRIFLUOROMETHYL)PHENYLACETIC ACID
- Molecular formula
- C9H6F3NO4
- Molecular weight
- 249.14
Names & synonyms
1735-91-7(2-Nitro-4-trifluorobenzyl)acetic acid2-Nitro-4-(trifluoromethyl)benzeneacetic acidEINECS 217-081-5DTXSID80169629RefChem:396164DTXCID4092120217-081-52-Nitro-4-(trifluoromethyl)phenylacetic acid2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid[2-nitro-4-(trifluoromethyl)phenyl]acetic acidBenzeneacetic acid, 2-nitro-4-(trifluoromethyl)-
Show more names
RARECHEM AL BO 04742-(4-Methyl-2-nitrophenyl)aceticacid2-Nitro-4-(trifluoromethyl)phenylaceticacid98%2-Nitro-4-(trifluoromethyl)phenylacetic acid 98%
2-(2-nitro-4-trifluoromethylphenyl)acetic acid2-Nitro-4-(trifluormethyl)phenylacetic acidMFCD000915342-(2-NITRO-4-(TRIFLUOROMETHYL)PHENYL)ACETIC ACID2-[2-Nitro-4-(trifluoromethyl)phenyl)acetic acid2-Nitro-4-trifluoromethylphenylacetic acid6072-89-55QSS9QY8AU
Database identifiers
- CAS
1735-91-7- PubChem CID
- 74433
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 144 · 144-146°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- color
- beige
- CAS DataBase Reference
- 1735 · 1735-91-7(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39-24/25
- HazardClass
- IRRITANT
- HS Code
- 29163990 · 29163990
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 29163990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
Chemistry & industry
Applications
Uses2-Nitro-4-(trifluoromethyl)phenylacetic acid is an organic compound that is often used as an intermediate in the chemical synthesis of medicines and pesticides.
Upstream & downstream products
Upstream raw materials
Suppliers74 total
上海策嵘生物科技有限公司[email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Related reactions
16 records
Compound notes
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