Basic information
- CAS
40750-71-8- Standard SMILES
O=[N+]([O-])c1ccc(OC(F)(F)Cl)cc1- InChIKey
WPALJCCMLCPKMZ-UHFFFAOYSA-N- Molecular formula
- C7H4ClF2NO3
- Average molar mass
- 223.56 g/mol
- Monoisotopic mass
- 222.984777
Names & identifiers
- Preferred name
- 1-(Chlorodifluoromethoxy)-4-nitrobenzene
- IUPAC
- 1-[chloro(difluoro)methoxy]-4-nitrobenzene
- English name
- 1-(CHLORO-DIFLUORO-METHOXY)-4-NITRO-BENZENE
- Molecular formula
- C7H4ClF2NO3
- Molecular weight
- 223.56
Names & synonyms
1-(chlorodifluoromethoxy)-4-nitrobenzeneRefChem:427441812-585-740750-71-81-[Chloro(difluoro)methoxy]-4-nitrobenzene4-(chlorodifluoromethoxy)nitrobenzene1-(Chloro-difluoro-methoxy)-4-nitro-benzenechloro(difluoro)methyl 4-nitrophenyl etherMFCD018208081-[Chloro(difluoro)methoxy]-4-nitro-benzene4-nitro-1-(chlorodifluoromethoxy)benzeneBenzene, 1-(chlorodifluoromethoxy)-4-nitro-
Show more names
4-(Chlorodifluoromethoxy)nitrobenzene98%4-(Chlorodifluoromethoxy)nitrobenzene 98%1-[chloro(difluoro)methoxy]-4-phenylbenzene
GNJ8JL85CNSCHEMBL10912860DTXSID30339870YQF1340SBB001662STK6758684-(chlorodifluoromethoxy)-nitrobenzeneAKOS005593926
Database identifiers
- CAS
40750-71-8- PubChem CID
- 559263
- DTXSID
DTXSID30339870- UNII
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 265.2 · 265.2±40.0 °C(Predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Predicted)
- form
- liquid
- color
- Pale yellow
- InChI
- InChI=1S/C7H4ClF2NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H
- InChIKey
- WPALJCCMLCPKMZ-UHFFFAOYSA-N
- SMILES
- C1(OC(Cl)(F)F)=CC=C([N+]([O-])=O)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- HS Code
- 2909309090 · 2909309090
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
Danger
H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1-(Chlorodifluoromethoxy)-4-nitrobenzene (EC: 812-585-7)
Hazard Classes and CategoriesAcute Tox. 3 (80%)
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
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses1-(Chlorodifluoromethoxy)-4-nitrobenzene
Upstream & downstream products
Downstream products
Suppliers34 total
普洛药业股份有限公司/浙江横店普洛进出口有限公司+86-0571-87635730 +86-13588737631 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
安庆奇创药业有限公司18061456370 · [email protected]
上海升华医药科技有限公司021-50793966 18917198199 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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