Basic information
- CAS
154057-13-3- Standard SMILES
Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1- InChIKey
OKKXWBAMGISRSR-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO2
- Average molar mass
- 205.13 g/mol
- Monoisotopic mass
- 205.03506292
Names & identifiers
- Preferred name
- 4-Methyl-2-nitro-1-(trifluoromethyl)benzene
- IUPAC
- 4-methyl-2-nitro-1-(trifluoromethyl)benzene
- English name
- 4-Methyl-2-nitro-1-(trifluoroMethyl)benzene
- Molecular formula
- C8H6F3NO2
- Molecular weight
- 205.13
Names & synonyms
4-methyl-2-nitro-1-(trifluoromethyl)benzene154057-13-34-Methyl-2-nitrobenzotrifluorideMFCD161401723-Nitro-4-(trifluoromethyl)toluene3-NITRO-4-TRIFLUOROMETHYLTOLUENEU7B3A2N9BYSCHEMBL8002173SCHEMBL275509302-Nitro-4-methylbenzotrifluorideDTXSID50599878CL8834
Show more names
4-Methyl-2-nitro-1-(trifluoroMethyl)benzene ISO 9001：2015 REACH
AKOS005258090DS-1178SY110707DB-358395CS-0112320EN300-267276Benzene, 4-methyl-2-nitro-1-(trifluoromethyl)-F078950
Database identifiers
- CAS
154057-13-3- PubChem CID
- 19783156
- DTXSID
DTXSID50599878- UNII
- U7B3A2N9BY
- EC Number
- 116-235-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Boiling point
- 238.9 · 238.9±40.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- liquid
- color
- Clear, lime/faint lemon
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- HS Code
- 2904990090 · 2904990090
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
- hs_code
- 2904990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers32 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
Related reactions
2 records
Compound notes
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