Basic information
- CAS
1138445-06-3- Standard SMILES
CC(F)(F)c1c(F)cccc1F- InChIKey
KTRFARQLXKMSPA-UHFFFAOYSA-N- Molecular formula
- C8H6F4
- Average molar mass
- 178.13 g/mol
- Monoisotopic mass
- 178.04056284
Names & identifiers
- Preferred name
- 2-(1,1-Difluoroethyl)-1,3-difluorobenzene
- IUPAC
- 2-(1,1-difluoroethyl)-1,3-difluorobenzene
- English name
- 2-(1,1-Difluoroethyl)-1,3-difluorobenzene
- Molecular formula
- C8H6F4
- Molecular weight
- 178.13
Names & synonyms
2-(1,1-DIFLUOROETHYL)-1,3-DIFLUOROBENZENE1138445-06-3RefChem:83774821-615-8MFCD11845808SCHEMBL9280677SCHEMBL17117581DTXSID601271791AKOS005256148MS-20762CS-02747512-(1,1-difluoroethyl)-1,3-difluoro-benzene
Show more names
Benzene, 2-(1,1-difluoroethyl)-1,3-difluoro-
EN300-1613895
Database identifiers
- CAS
1138445-06-3- PubChem CID
- 45790664
- DTXSID
DTXSID601271791- EC Number
- 821-615-8
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 162.4 · 162.4±35.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 331 · H331-H315-H335-H311-H319-H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501
- HazardClass
- IRRITANT
- HS Code
- 2903998090 · 2903998090
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 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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. 3 (100%)
Safety data
- hs_code
- 2903998090
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS06
- hazard_class
- IRRITANT
- Hazard statements
- H331-H315-H335-H311-H319-H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Suppliers5 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
安徽合诺生物科技有限公司0555-2761852
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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