Basic information
- CAS
169468-83-1- Standard SMILES
O=[N+]([O-])c1ccc(F)c(F)c1Cl- InChIKey
MOKXBJZRTOPIFB-UHFFFAOYSA-N- Molecular formula
- C6H2ClF2NO2
- Average molar mass
- 193.53 g/mol
- Monoisotopic mass
- 192.9742123
Names & identifiers
- Preferred name
- 2-Chloro-3,4-difluoro-1-nitrobenzene
- IUPAC
- 3-chloro-1,2-difluoro-4-nitrobenzene
- English name
- 2-Chloro-3,4-difluoronitrobenzene
- Molecular formula
- C6H2ClF2NO2
- Molecular weight
- 193.54
Names & synonyms
169468-83-12-chloro-3,4-difluoro-1-nitrobenzeneDTXSID40531186RefChem:86161DTXCID40481975605-553-72-Chloro-3,4-difluoronitrobenzeneMFCD066582623-chloro-1,2-difluoro-4-nitrobenzene3-chloro-1,2-difluoro-4-nitro-benzene2-Chloro-3,4,-difluoronitrobenzeneBenzene, 2-chloro-3,4-difluoro-1-nitro-
Show more names
1-Chloro-2,3-difluoronitrobenzene2,3-DIFLUORO-6-NITTROCHLOROBENZENE1-Chloro-2,3-difluoro-6-nitrobenzene2-Chloro-3,4,-difluoronitrobenzene96%2-Chloro-3,4,-difluoronitrobenzene 96%2-Chloro-3,4-difluoronitrobenzene ISO 9001：2015 REACH
SCHEMBL3723529SCHEMBL313423212-Chloro-34-difluoronitrobenzeneSBB064334AKOS006345236AC-5971CS-W003305DS-1635
Database identifiers
- CAS
169468-83-1- PubChem CID
- 13239752
- DTXSID
DTXSID40531186
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Boiling point
- 245.8 · 245.8±35.0 °C(Predicted)
- Density
- 1.591 · 1.591±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystals
- color
- Amber/tan
- InChI
- InChI=1S/C6H2ClF2NO2/c7-5-4(10(11)12)2-1-3(8)6(5)9/h1-2H
- InChIKey
- MOKXBJZRTOPIFB-UHFFFAOYSA-N
- SMILES
- C1([N+]([O-])=O)=CC=C(F)C(F)=C1Cl
- CAS DataBase Reference
- 169468 · 169468-83-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
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, 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%)
Safety data
- hs_code
- 2904990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers97 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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