Basic information
- CAS
1799-97-9- Standard SMILES
Cc1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl- InChIKey
SXUKZUVAUOUEAF-UHFFFAOYSA-N- Molecular formula
- C14H9ClF3NO3
- Average molar mass
- 331.67 g/mol
- Monoisotopic mass
- 331.02230549
Names & identifiers
- Preferred name
- 1-(4-Chloro-3-methylphenoxy)-2-nitro-4-(trifluoromethyl)benzene
- IUPAC
- 1-(4-chloro-3-methylphenoxy)-2-nitro-4-(trifluoromethyl)benzene
- English name
- 4-(4-Chloro-3-methylphenoxy)-3-nitrobenzotrifluoride
- Molecular formula
- C14H9ClF3NO3
- Molecular weight
- 331.67
Names & synonyms
1799-97-91-(4-chloro-3-methylphenoxy)-2-nitro-4-(trifluoromethyl)benzene1-Chloro-2-methyl-4-(2-nitro-4-(trifluoromethyl)phenoxy)benzene4-(4-Chloro-3-methylphenoxy)-3-nitrobenzotrifluorideMFCD000522591-chloro-2-methyl-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzene4'-Chloro-3'-methyl-2-nitro-4-(trifluoromethyl)diphenyl etherNSC58419Maybridge1_001457NCIOpen2_007963HMS545K05DTXSID40288986
Show more names
BUTTPARK 97\12-104-(4-Chloro-3-methylphenoxy)-3-nitrobenzotrifluoride97%4-(4-Chloro-3-methylphenoxy)-3-nitrobenzotrifluoride 97%4'-Chloro-3'-methyl-2-nitro-4-(trifluoromethyl)diphenylether97%Ether, 4-chloro-m-tolyl α,α,α-trifluoro-2-nitro-p-tolyl (7CI,8CI)4'-Chloro-3'-methyl-2-nitro-4-(trifluoromethyl)diphenyl ether 97%
NSC-58419AKOS024388185DB-044384CS-0324135ST51041600F7252094-(4-Chloro-3-methylphenoxy)-3-nitro benzotrifluoride1-(4-chloro-3-methyl-phenoxy)-2-nitro-4-(trifluoromethyl)benzene
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 130 · 130-140 °C(Press: 0.05 Torr)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 1799 · 1799-97-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39-24/25
- 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-24/25
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses4-(4-Chloro-3-methylphenoxy)-3-nitro-benzotrifluoride (CAS# 1799-97-9) can be used as a herbicide.
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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