Basic information
- CAS
93628-97-8- Standard SMILES
O=[N+]([O-])/C=C/c1ccc(C(F)(F)F)cc1- InChIKey
CATQYSSYYQMLHV-AATRIKPKSA-N- Molecular formula
- C9H6F3NO2
- Average molar mass
- 217.14 g/mol
- Monoisotopic mass
- 217.03506292
Names & identifiers
- Preferred name
- 1-[(1E)-2-nitroethenyl]-4-(trifluoromethyl)benzene
- IUPAC
- 1-[(E)-2-nitroethenyl]-4-(trifluoromethyl)benzene
- English name
- 1-(4-Trifluoromethylphenyl)-2-nitroethylene
- Molecular formula
- C9H6F3NO2
- Molecular weight
- 217.14
Names & synonyms
93628-97-81-[(1E)-2-nitroethenyl]-4-(trifluoromethyl)benzene1-((1E)-2-nitroethenyl)-4-(trifluoromethyl)benzeneRefChem:418200869-222-099696-01-21-(2-nitrovinyl)-4-(trifluoromethyl)benzene(E)-1-(2-nitrovinyl)-4-(trifluoromethyl)benzene1-(2-nitroethenyl)-4-(trifluoromethyl)benzene4-trifluoromethyl-beta-nitrostyrene4-Trifluoromethyl-trans-beta-nitrostyrene1-[(E)-2-nitroethenyl]-4-(trifluoromethyl)benzene
Show more names
β-Nitro-4-(trifluoromethyl)styreneBETA-NITRO-4'-(TRIFLUOROMETHYL)STYRENEtrans-4-Trifluoromethyl-beta-nitrostyrene1-Trifluoromethyl-4-(2-nitrovinyl)benzenetrans-beta-nitro-4-(trifluoromethyl)styrene1-(2-NITRO-VINYL)-4-TRIFLUOROMETHYL-BENZENEBenzene, 1-(2-nitroethenyl)-4-(trifluoromethyl)-
1-(4-trifluoromethylphenyl)-2-nitroethyleneMFCD00192359CHEMBL230735(E)-(2-Nitrovinyl)-4-trifluoromethylbenzene1-[(E)-2-nitrovinyl]-4-(trifluoromethyl)benzene1-(2-nitro-vinyl)-4-benzotrifluoride1-(4-(trifluoromethyl)phenyl)-2-nitroethene1-(trifluoromethyl)-4-((E)-2-nitrovinyl)benzene
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 94 · 94-96 °C(lit.)
- Boiling point
- 254.8 · 254.8±35.0 °C(Predicted)
- Density
- 1.355 · 1.355±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H302-H312-H335-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H315-H319-H302-H312-H335-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers25 total
杭州创引化工科技有限公司0571-87012927 13516718938 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
上海翱跃化工科技有限公司021-021-64367138 15900495324 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海鹤成医药科技有限公司13564747822 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Speranza Chemical Co., Ltd.+86-86-075521030354 +86-18688942810 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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