Basic information
- CAS
89634-76-4- Standard SMILES
O=[N+]([O-])c1cc(F)c(Cl)cc1C(F)(F)F- InChIKey
BNRUORLMVKXHTL-UHFFFAOYSA-N- Molecular formula
- C7H2ClF4NO2
- Average molar mass
- 243.54 g/mol
- Monoisotopic mass
- 242.9710186
Names & identifiers
- Preferred name
- 1-Chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzene
- IUPAC
- 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzene
- English name
- Benzene, 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)-
- Molecular formula
- C7H2ClF4NO2
- Molecular weight
- 243.54
Names & synonyms
89634-76-41-Chloro-2-fluoro-4-nitro-5-(trifluoromethyl)benzeneDTXSID50603181RefChem:75350DTXCID30553938964-874-3Benzene, 1-chloro-2-fluoro-4-nitro-5-(trifluoromethyl)-5-chloro-4-fluoro-2-nitrobenzotrifluorideSCHEMBL10812794EN300-43360482
Database identifiers
- CAS
89634-76-4- PubChem CID
- 20163306
- DTXSID
DTXSID50603181- EC Number
- 964-874-3
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 231.9 · 231.9±40.0 °C(Predicted)
- Density
- 1.613 · 1.613±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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)
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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
常州安赛普化工有限公司0519-86305871 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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